4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid

C11H13NO5 — CID 61243635

IUPAC4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO5/c13-6-5-9(11(16)17)12-10(15)7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)
InChIKeyIDCXXTWNFPWFHZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.04
Rot. Bonds5

About 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid

4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid (PubChem CID 61243635) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
PubChem CID61243635
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H13NO5/c13-6-5-9(11(16)17)12-10(15)7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)
InChIKeyIDCXXTWNFPWFHZ-UHFFFAOYSA-N
XLogP-0.04
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
(2R)-2-[(4-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004976
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
4-hydroxy-2-(thiophene-3-carbonylamino)butanoic acid
CID 61244362
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid (CID 61243635) is 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid is O=C(NC(CCO)C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid?
The InChIKey is IDCXXTWNFPWFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-6-5-9(11(16)17)12-10(15)7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17).
What are the key properties of 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid?
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 61243635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).