2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid

HCID 12136629CAS 165607-76-1

Substructure search Find similar structures

Basic information

Standard SMILES: CCCN(CC(=O)O)C(=O)OC(C)(C)C
InChIKey: RYAKVKATDZQYAM-UHFFFAOYSA-N
Molecular formula: C10H19NO4
Average molar mass: 217.26 g/mol
Monoisotopic mass: 217.13140809

Names & identifiers

Preferred name: 2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acid
English name: N-Propyl-N-Boc-glycine
Molecular formula: C10H19NO4
Molecular weight: 217.26

Names & synonyms

2-{[(tert-Butoxy)carbonyl](propyl)amino}acetic acid2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid2-([(tert-Butoxy)carbonyl](propyl)amino)acetic acidRefChem:447013854-462-0165607-76-1N-PROPYL-N-BOC-GLYCINE2-[N-(t-butoxycarbonyl)-N-propylamino]acetic acid2-((tert-Butoxycarbonyl)(propyl)amino)acetic acidGlycine, N-[(1,1-dimethylethoxy)carbonyl]-N-propyl-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]acetic acidMFCD09909474

Show more names

N-(tert-butoxycarbonyl)-N-propylglycine(tert-Butoxycarbonyl-propyl-amino)-acetic acidBoc-nPrGly-OHN-Boc-N-propyl-glycineSCHEMBL16776372-[Boc(propyl)amino]acetic AcidDTXSID80478283RYAKVKATDZQYAM-UHFFFAOYSA-N

Database identifiers

CAS: 165607-76-1
PubChem CID: 12136629
DTXSID: DTXSID80478283
EC Number: 854-462-0

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 232

Physicochemical properties

Boiling point: 318.4 · 318.4±21.0 °C(Predicted)
Density: 1.091 · 1.091±0.06 g/cm3(Predicted)
pka: 4.03 · 4.03±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362