(2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid

C6H10N4O2 — CID 94905321

IUPAC(2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(C[C@H](N)C(=O)O)nn1
InChIInChI=1S/C6H10N4O2/c1-10-3-4(8-9-10)2-5(7)6(11)12/h3,5H,2,7H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyZYZXSZXTQAIMQM-YFKPBYRVSA-N
MW170.17 g/mol
LogP-1.23
Rot. Bonds3

About (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid

(2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid (PubChem CID 94905321) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid
PubChem CID94905321
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(C[C@H](N)C(=O)O)nn1
InChIInChI=1S/C6H10N4O2/c1-10-3-4(8-9-10)2-5(7)6(11)12/h3,5H,2,7H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyZYZXSZXTQAIMQM-YFKPBYRVSA-N
XLogP-1.23
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-(1-methyltriazol-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-methyltriazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid (CID 94905321) is (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid is Cn1cc(C[C@H](N)C(=O)O)nn1.
What is the InChIKey of (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid?
The InChIKey is ZYZXSZXTQAIMQM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-3-4(8-9-10)2-5(7)6(11)12/h3,5H,2,7H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid?
(2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-methyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 94905321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).