3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid

C13H17N3O4 — CID 82325412

IUPAC3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C13H17N3O4/c1-10(17)15-6-8-16(7-4-12(18)19)13(20)11-3-2-5-14-9-11/h2-3,5,9H,4,6-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyZUCURRGUKFLTOY-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.13
Rot. Bonds7

About 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid

3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 82325412) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
PubChem CID82325412
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C13H17N3O4/c1-10(17)15-6-8-16(7-4-12(18)19)13(20)11-3-2-5-14-9-11/h2-3,5,9H,4,6-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyZUCURRGUKFLTOY-UHFFFAOYSA-N
XLogP0.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325112
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-(3,3-dimethylbutyl)-N-propylpyridine-3-carboxamide
CID 18735846
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid
CID 82325431
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325449

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid (CID 82325412) is 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid is CC(=O)NCCN(CCC(=O)O)C(=O)c1cccnc1.
What is the InChIKey of 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is ZUCURRGUKFLTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-10(17)15-6-8-16(7-4-12(18)19)13(20)11-3-2-5-14-9-11/h2-3,5,9H,4,6-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid?
3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82325412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).