4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid

C14H19NO4 — CID 54926331

IUPAC4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-10(2)15(9-3-4-13(17)18)14(19)11-5-7-12(16)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyHATWXNWJBNHMFC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.11
Rot. Bonds6

About 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid

4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid (PubChem CID 54926331) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
PubChem CID54926331
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-10(2)15(9-3-4-13(17)18)14(19)11-5-7-12(16)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyHATWXNWJBNHMFC-UHFFFAOYSA-N
XLogP2.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753
4-[[(4-hydroxyphenyl)-methylcarbamoyl]-propan-2-ylamino]butanoic acid
CID 107737053
4-[2H-benzotriazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60825852
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
4-[(2-oxo-1H-pyridine-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 114039642
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018
4-[3H-benzimidazole-5-carbonyl(propan-2-yl)amino]butanoic acid
CID 60827417
N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
CID 91902584
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid (CID 54926331) is 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid?
The InChIKey is HATWXNWJBNHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)15(9-3-4-13(17)18)14(19)11-5-7-12(16)8-6-11/h5-8,10,16H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid?
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 54926331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).