2-(2-carboxyethylamino)propanoic acid

C6H11NO4 — CID 24906305

IUPAC2-(2-carboxyethylamino)propanoic acid
SMILESCC(NCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyOAWHMSFCLIYBHE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.48
Rot. Bonds5

About 2-(2-carboxyethylamino)propanoic acid

2-(2-carboxyethylamino)propanoic acid (PubChem CID 24906305) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(2-carboxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-carboxyethylamino)propanoic acid
PubChem CID24906305
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(2-carboxyethylamino)propanoic acid
SMILESCC(NCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyOAWHMSFCLIYBHE-UHFFFAOYSA-N
XLogP-0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Nmda
CID 22880
alpha-Amino-beta-methylaminopropionic acid
CID 28558
N-Methyl-L-Alanine
CID 5288725
N-Methylaspartic acid
CID 4376
beta-(N-Methylamino)-L-alanine
CID 105089
Alanopine
CID 439943
N-(Carboxymethyl)-beta-alanine
CID 281622
(2R)-2-(methylamino)propanoic acid
CID 92973
(2S)-2-propanamidopropanoic acid
CID 22788191
N-(1-Oxopropyl)alanine
CID 321155
N-Methyl-DL-Alanine
CID 4377
D-N-(Carboxyacetyl)alanine
CID 21257161

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyethylamino)propanoic acid?
The IUPAC name of 2-(2-carboxyethylamino)propanoic acid (CID 24906305) is 2-(2-carboxyethylamino)propanoic acid.
What is the SMILES notation for 2-(2-carboxyethylamino)propanoic acid?
The canonical SMILES for 2-(2-carboxyethylamino)propanoic acid is CC(NCCC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carboxyethylamino)propanoic acid?
The InChIKey is OAWHMSFCLIYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(2-carboxyethylamino)propanoic acid?
2-(2-carboxyethylamino)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyethylamino)propanoic acid is sourced from PubChem (CID 24906305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).