4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid

C14H19NO4 — CID 61243460

IUPAC4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
SMILESCC(C)c1ccc(C(=O)NC(CCO)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9(2)10-3-5-11(6-4-10)13(17)15-12(7-8-16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHHLKDVKWCDZSDI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.38
Rot. Bonds6

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

4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid (PubChem CID 61243460) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
PubChem CID61243460
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
SMILESCC(C)c1ccc(C(=O)NC(CCO)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9(2)10-3-5-11(6-4-10)13(17)15-12(7-8-16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyHHLKDVKWCDZSDI-UHFFFAOYSA-N
XLogP1.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
(2R)-2-[(4-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004976
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid (CID 61243460) is 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid is CC(C)c1ccc(C(=O)NC(CCO)C(=O)O)cc1.
What is the InChIKey of 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid?
The InChIKey is HHLKDVKWCDZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)10-3-5-11(6-4-10)13(17)15-12(7-8-16)14(18)19/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid?
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 61243460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).