(2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid

C7H10N4O4 — CID 52941387

IUPAC(2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid
SMILESN[C@@H](Cc1cn(CC(=O)O)nn1)C(=O)O
InChIInChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m0/s1
InChIKeySKGULNXKJSHPGF-YFKPBYRVSA-N
MW214.18 g/mol
LogP-1.68
Rot. Bonds5

About (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid

(2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid (PubChem CID 52941387) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid
PubChem CID52941387
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name(2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid
SMILESN[C@@H](Cc1cn(CC(=O)O)nn1)C(=O)O
InChIInChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m0/s1
InChIKeySKGULNXKJSHPGF-YFKPBYRVSA-N
XLogP-1.68
TPSA131.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid (CID 52941387) is (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid is N[C@@H](Cc1cn(CC(=O)O)nn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid?
The InChIKey is SKGULNXKJSHPGF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid?
(2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid has a molecular weight of 214.18 g/mol, XLogP of -1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[1-(carboxymethyl)triazol-4-yl]propanoic acid is sourced from PubChem (CID 52941387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).