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

C5H8N4O2 — CID 7018842

IUPAC(2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESN[C@@H](Cn1cncn1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)/t4-/m0/s1
InChIKeyXVWFTOJHOHJIMQ-BYPYZUCNSA-N
MW156.15 g/mol
LogP-1.31
Rot. Bonds3

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

(2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 7018842) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID7018842
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name(2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESN[C@@H](Cn1cncn1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)/t4-/m0/s1
InChIKeyXVWFTOJHOHJIMQ-BYPYZUCNSA-N
XLogP-1.31
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.31
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-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid (CID 7018842) is (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid is N[C@@H](Cn1cncn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is XVWFTOJHOHJIMQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
(2S)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 156.15 g/mol, XLogP of -1.31, 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-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 7018842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).