4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid

C11H14N2O3 — CID 43529024

IUPAC4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
SMILESCC(NC(=O)CCC(=O)O)c1ccccn1
InChIInChI=1S/C11H14N2O3/c1-8(9-4-2-3-7-12-9)13-10(14)5-6-11(15)16/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyXUEDCJLEVHDNKN-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.12
Rot. Bonds5

About 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid

4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid (PubChem CID 43529024) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
PubChem CID43529024
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
SMILESCC(NC(=O)CCC(=O)O)c1ccccn1
InChIInChI=1S/C11H14N2O3/c1-8(9-4-2-3-7-12-9)13-10(14)5-6-11(15)16/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyXUEDCJLEVHDNKN-UHFFFAOYSA-N
XLogP1.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
CID 104570205
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid (CID 43529024) is 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid is CC(NC(=O)CCC(=O)O)c1ccccn1.
What is the InChIKey of 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid?
The InChIKey is XUEDCJLEVHDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(9-4-2-3-7-12-9)13-10(14)5-6-11(15)16/h2-4,7-8H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid?
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid is sourced from PubChem (CID 43529024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).