4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid

C13H18N2O3 — CID 54926932

IUPAC4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-10(2)15(8-4-6-12(16)17)13(18)11-5-3-7-14-9-11/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyBOYAZIPYMLBWDN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.80
Rot. Bonds6

About 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid

4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 54926932) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
PubChem CID54926932
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-10(2)15(8-4-6-12(16)17)13(18)11-5-3-7-14-9-11/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyBOYAZIPYMLBWDN-UHFFFAOYSA-N
XLogP1.80
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579
4-[propan-2-yl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 60825706
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
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-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
CID 91902584

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid (CID 54926932) is 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)c1cccnc1.
What is the InChIKey of 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is BOYAZIPYMLBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)15(8-4-6-12(16)17)13(18)11-5-3-7-14-9-11/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid?
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 54926932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).