4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid

C12H15NO4 — CID 80539044

IUPAC4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)6-7-13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyWIPYMNALDNORML-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.23
Rot. Bonds5

About 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid

4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 80539044) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID80539044
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)6-7-13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyWIPYMNALDNORML-UHFFFAOYSA-N
XLogP1.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
2-methyl-5-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 104681984
4-[(3,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538601
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
CID 104682533
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid (CID 80539044) is 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is WIPYMNALDNORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(16)17)6-7-13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80539044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).