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

C5H8N4O2 — CID 57364739

IUPAC(2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cn[nH]n1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1
InChIKeyYCHNJQXUYMPHNB-BYPYZUCNSA-N
MW156.14 g/mol
LogP-1.24
Rot. Bonds3

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

(2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid (PubChem CID 57364739) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid
PubChem CID57364739
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name(2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cn[nH]n1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1
InChIKeyYCHNJQXUYMPHNB-BYPYZUCNSA-N
XLogP-1.24
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid (CID 57364739) is (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid is N[C@@H](Cc1cn[nH]n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid?
The InChIKey is YCHNJQXUYMPHNB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid?
(2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2H-triazol-4-yl)propanoic acid is sourced from PubChem (CID 57364739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).