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Oxalyldiaminopropionic acid

HCID 2360
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5302-45-4
Standard SMILES
NC(CNC(=O)C(=O)O)C(=O)O
InChIKey
NEEQFPMRODQIKX-UHFFFAOYSA-N
Molecular formula
C5H8N2O5
Average molar mass
176.13 g/mol
Monoisotopic mass
176.04332136

Overview

L-2-Amino-3-(oxalylamino)propanoic acid is an alpha-amino acid.

Names & identifiers

Preferred name
Oxalyldiaminopropionic acid
IUPAC
2-amino-3-(oxaloamino)propanoic acid
English name
2-amino-3-(oxaloamino)propanoic acid
Molecular formula
C5H8N2O5
Molecular weight
176.13

Names & synonyms

7554-90-7Oxalyldiaminopropionic acidOxalylaminoalanineLathyrus neurotoxinODAPbeta-(Oxalylamino)alanineCarboxycarbonyl-aminoalanineOxamic acid, (2-amino-2-carboxyethyl)-1TG777QI25DENCICHIN, DL-3-Oxalylamino-2-aminopropionic acidAlanine, 3-((carboxycarbonyl)amino)-
Show more names
(Rac)-Dencichin3-[(Carboxycarbonyl)amino]-alanineAlanine, 3-[(carboxycarbonyl)amino]-β-N-oxalyl-α,β-diaminopropionic acidDL-Alanine, 3-[(carboxycarbonyl)aMino]-2-amino-3-(oxaloamino)propanoic acid/Dencichin
DTXSID50896910RefChem:928345DTXCID6013263522-AMINO-3-(CARBOXYFORMAMIDO)PROPANOIC ACID2-amino-3-(oxaloamino)propanoic acid(Rac)-DencichineL-2-Amino-3-(oxalylamino)propanoic acid3-((Carboxycarbonyl)amino)alanine

Database identifiers

CAS
5302-45-4、7554-90-7
PubChem CID

Properties

Computed structural properties

XLogP
-4.1
Topological polar surface area
130 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
214

Experimental & physicochemical properties

Melting Point206 °C
Physical DescriptionSolid

Physicochemical properties

Density
1.596 · 1.596±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.
-20 °C · Store at -20°C
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form
Powder
pka
1.99 · 1.99±0.10(Predicted)
FDA UNII
1 TG777QI25 · 1TG777QI25

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

Uses2-Amino-3-(carboxyformamido)propanoic Acid is a hemostatic agent present in well known Chinese medicinal herbs.

Suppliers21 total

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
上海煜柯化学品有限公司

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
2360
DTXSID
DTXSID50896910
ChEMBL
CHEMBL5184064
ChEBI
CHEBI:173808
UNII
1TG777QI25
Nikkaji
J590.219C
13391486464 · [email protected]
成都埃法生物科技有限公司028-85142057, 18030712385 · [email protected]
成都格纯生物医药有限公司028-88203606 18881370802 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海中药创新研究中心86-21-50801717-301 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: L-2-Amino-3-(oxalylamino)propanoic acid is an alpha-amino acid.