(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid

C6H8N4O3 — CID 78929265

IUPAC(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1cn[nH]n1)C(=O)O
InChIInChI=1S/C6H8N4O3/c1-3(6(12)13)8-5(11)4-2-7-10-9-4/h2-3H,1H3,(H,8,11)(H,12,13)(H,7,9,10)/t3-/m1/s1
InChIKeyQLYBSHFRANAWLF-GSVOUGTGSA-N
MW184.16 g/mol
LogP-0.99
Rot. Bonds3

About (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid

(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid (PubChem CID 78929265) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
PubChem CID78929265
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1cn[nH]n1)C(=O)O
InChIInChI=1S/C6H8N4O3/c1-3(6(12)13)8-5(11)4-2-7-10-9-4/h2-3H,1H3,(H,8,11)(H,12,13)(H,7,9,10)/t3-/m1/s1
InChIKeyQLYBSHFRANAWLF-GSVOUGTGSA-N
XLogP-0.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid (CID 78929265) is (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid is C[C@@H](NC(=O)c1cn[nH]n1)C(=O)O.
What is the InChIKey of (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid?
The InChIKey is QLYBSHFRANAWLF-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3(6(12)13)8-5(11)4-2-7-10-9-4/h2-3H,1H3,(H,8,11)(H,12,13)(H,7,9,10)/t3-/m1/s1.
What are the key properties of (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid?
(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid has a molecular weight of 184.16 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2H-triazole-4-carbonylamino)propanoic acid is sourced from PubChem (CID 78929265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).