3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid

C12H13N5O3 — CID 132605658

IUPAC3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1cc(-c2ccccn2)nn1
InChIInChI=1S/C12H13N5O3/c18-11(14-6-4-12(19)20)8-17-7-10(15-16-17)9-3-1-2-5-13-9/h1-3,5,7H,4,6,8H2,(H,14,18)(H,19,20)
InChIKeyUZYJRVZAHOSTEZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.07
Rot. Bonds6

About 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid

3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 132605658) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid
PubChem CID132605658
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1cc(-c2ccccn2)nn1
InChIInChI=1S/C12H13N5O3/c18-11(14-6-4-12(19)20)8-17-7-10(15-16-17)9-3-1-2-5-13-9/h1-3,5,7H,4,6,8H2,(H,14,18)(H,19,20)
InChIKeyUZYJRVZAHOSTEZ-UHFFFAOYSA-N
XLogP-0.07
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-pyridin-2-yltriazol-1-yl)heptan-2-one
CID 167561665
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 112530298
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208
trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
CID 71725787
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
CID 166387836
2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66291027
3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975157
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one
CID 170097966
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid (CID 132605658) is 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cn1cc(-c2ccccn2)nn1.
What is the InChIKey of 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is UZYJRVZAHOSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-11(14-6-4-12(19)20)8-17-7-10(15-16-17)9-3-1-2-5-13-9/h1-3,5,7H,4,6,8H2,(H,14,18)(H,19,20).
What are the key properties of 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid?
3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 275.27 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 132605658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).