4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid

C13H18N2O4 — CID 114039642

IUPAC4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H18N2O4/c1-9(2)15(7-3-4-12(17)18)13(19)10-5-6-14-11(16)8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVQCFHTZNXMVMSC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.09
Rot. Bonds6

About 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid

4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 114039642) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID114039642
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H18N2O4/c1-9(2)15(7-3-4-12(17)18)13(19)10-5-6-14-11(16)8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVQCFHTZNXMVMSC-UHFFFAOYSA-N
XLogP1.09
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
CID 103764335
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
4-[2H-benzotriazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60825852
4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827419
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid (CID 114039642) is 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is VQCFHTZNXMVMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)15(7-3-4-12(17)18)13(19)10-5-6-14-11(16)8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 114039642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).