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

C6H10N4O2 — CID 130613907

IUPAC3-amino-3-(2-methyltriazol-4-yl)propanoic acid
SMILESCn1ncc(C(N)CC(=O)O)n1
InChIInChI=1S/C6H10N4O2/c1-10-8-3-5(9-10)4(7)2-6(11)12/h3-4H,2,7H2,1H3,(H,11,12)
InChIKeyOVMGEYIGJXKEPT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.71
Rot. Bonds3

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

3-amino-3-(2-methyltriazol-4-yl)propanoic acid (PubChem CID 130613907) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-amino-3-(2-methyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-methyltriazol-4-yl)propanoic acid
PubChem CID130613907
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-amino-3-(2-methyltriazol-4-yl)propanoic acid
SMILESCn1ncc(C(N)CC(=O)O)n1
InChIInChI=1S/C6H10N4O2/c1-10-8-3-5(9-10)4(7)2-6(11)12/h3-4H,2,7H2,1H3,(H,11,12)
InChIKeyOVMGEYIGJXKEPT-UHFFFAOYSA-N
XLogP-0.71
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 ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-3-(2-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

Related Compounds

(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride
CID 154852937
1-(2-methyltriazol-4-yl)ethanol
CID 130521764
3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
CID 66132745
(3S)-3-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 130713614
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
CID 112735847
N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
CID 131029070

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methyltriazol-4-yl)propanoic acid?
The IUPAC name of 3-amino-3-(2-methyltriazol-4-yl)propanoic acid (CID 130613907) is 3-amino-3-(2-methyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2-methyltriazol-4-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(2-methyltriazol-4-yl)propanoic acid is Cn1ncc(C(N)CC(=O)O)n1.
What is the InChIKey of 3-amino-3-(2-methyltriazol-4-yl)propanoic acid?
The InChIKey is OVMGEYIGJXKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-8-3-5(9-10)4(7)2-6(11)12/h3-4H,2,7H2,1H3,(H,11,12).
What are the key properties of 3-amino-3-(2-methyltriazol-4-yl)propanoic acid?
3-amino-3-(2-methyltriazol-4-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 130613907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).