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

C6H10N4O2 — CID 155566772

IUPAC(2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid
SMILESCc1cn(C[C@H](N)C(=O)O)nn1
InChIInChI=1S/C6H10N4O2/c1-4-2-10(9-8-4)3-5(7)6(11)12/h2,5H,3,7H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyJWLWMDVNFPENPX-YFKPBYRVSA-N
MW170.17 g/mol
LogP-1.00
Rot. Bonds3

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

(2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid (PubChem CID 155566772) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid
PubChem CID155566772
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid
SMILESCc1cn(C[C@H](N)C(=O)O)nn1
InChIInChI=1S/C6H10N4O2/c1-4-2-10(9-8-4)3-5(7)6(11)12/h2,5H,3,7H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyJWLWMDVNFPENPX-YFKPBYRVSA-N
XLogP-1.00
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 ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid (CID 155566772) is (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid is Cc1cn(C[C@H](N)C(=O)O)nn1.
What is the InChIKey of (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid?
The InChIKey is JWLWMDVNFPENPX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4-2-10(9-8-4)3-5(7)6(11)12/h2,5H,3,7H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid?
(2S)-2-amino-3-(4-methyltriazol-1-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -1.00, 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-(4-methyltriazol-1-yl)propanoic acid is sourced from PubChem (CID 155566772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).