3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid

C11H14N2O4 — CID 141166714

IUPAC3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)N1C=CC=C(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H14N2O4/c1-8(14)13-6-2-3-9(7-13)11(17)12-5-4-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,12,17)(H,15,16)
InChIKeyWHVVLMIPNWDPQZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid

3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 141166714) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID141166714
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)N1C=CC=C(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H14N2O4/c1-8(14)13-6-2-3-9(7-13)11(17)12-5-4-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,12,17)(H,15,16)
InChIKeyWHVVLMIPNWDPQZ-UHFFFAOYSA-N
XLogP-0.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid (CID 141166714) is 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid is CC(=O)N1C=CC=C(C(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is WHVVLMIPNWDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(14)13-6-2-3-9(7-13)11(17)12-5-4-10(15)16/h2-3,6H,4-5,7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 141166714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).