Hydantoic acid

HCID 10020
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Basic information

CAS
462-60-2
Standard SMILES
NC(=O)NCC(=O)O
InChIKey
KZVRXPPUJQRGFN-UHFFFAOYSA-N
Molecular formula
C3H6N2O3
Average molar mass
118.09 g/mol
Monoisotopic mass
118.03784205

Overview

N-carbamoylglycine is a member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine. It has a role as a xenobiotic metabolite and a rat metabolite. It is a N-acylglycine, a monocarboxylic acid and a member of ureas. It is functionally related to a glycine. It is a conjugate acid of a N-carbamoylglycinate.

Names & identifiers

Preferred name
Hydantoic acid
IUPAC
2-(carbamoylamino)acetic acid
English name
Hydantoic acid
Molecular formula
C3H6N2O3
Molecular weight
118.09

Names & synonyms

Hydantoic acid462-60-2N-CarbamoylglycineCarbamoylglycineGlycoluric acidN-CarbamylglycineAcetic acid, ureido-Glycine, N-(aminocarbonyl)-Urea, (carboxymethyl)-Acetic acid, ((aminocarbonyl)amino)-CB 1636Q4F314U63K
Show more names
cb1636AKOS B029823glycoluricacidcarbomoylglycineHydantoicAcid>N-CARBAMYLGLYCINEureidoacetic acidn-carbamoyl-glycinHYDANTOIC ACID 98%
NSC-49417DTXSID7060045CHEBI:133351Acetic acid, [(aminocarbonyl)amino]-RefChem:788598DTXCID4040478207-328-52-Ureidoacetic acid

Database identifiers

CAS
462-60-2
PubChem CID
10020
DTXSID
DTXSID7060045
ChEBI
CHEBI:133351
UNII
Q4F314U63K
EC Number
207-328-5
Nikkaji
J2.589E

Properties

Computed structural properties

XLogP
-1.4
Topological polar surface area
92.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
SpringerMaterials PropertiesDensity
Vapor Pressure0.000247 [mmHg]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
179 · 179-180 °C
Boiling point
220.6 °C · 220.6°C (rough estimate)
Density
1.5267 · 1.5267 (rough estimate)
refractive index
1.4715 · 1.4715 (estimate)
storage temp.
Store at room temperature
pka
1 · pK1: 3.876 (25°C)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See N-Glycylglycine.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
tsca
TSCA listed
rtecs
MB7660000
hs_code
2924.19.8000
Toxicity
mouse,LD50,oral,> 1gm/kg (1000mg/kg),Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(4), Pg. 32, 1990.
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationGlycine, N-(aminocarbonyl)-: INACTIVE

Upstream & downstream products

Suppliers34 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Additional notes · 1 item

DefinitionChEBI: N-carbamoylglycine is a member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine. It has a role as a rat metabolite and a xenobiotic metabolite. It is a N-acylglycine, a member of ureas and a monocarboxylic acid. It is functionally related to a glycine.

Related reactions

9 records
New reaction record

Compound notes

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