3-[(3-methoxybenzoyl)amino]butanoic acid

C12H15NO4 — CID 43092439

IUPAC3-[(3-methoxybenzoyl)amino]butanoic acid
SMILESCOc1cccc(C(=O)NC(C)CC(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-8(6-11(14)15)13-12(16)9-4-3-5-10(7-9)17-2/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCKYOLCDGPYPLMH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.29
Rot. Bonds5

About 3-[(3-methoxybenzoyl)amino]butanoic acid

3-[(3-methoxybenzoyl)amino]butanoic acid (PubChem CID 43092439) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[(3-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-methoxybenzoyl)amino]butanoic acid
PubChem CID43092439
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[(3-methoxybenzoyl)amino]butanoic acid
SMILESCOc1cccc(C(=O)NC(C)CC(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-8(6-11(14)15)13-12(16)9-4-3-5-10(7-9)17-2/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCKYOLCDGPYPLMH-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
CID 51194801
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692
(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(3-methoxybenzoyl)amino]butanoic acid (CID 43092439) is 3-[(3-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-methoxybenzoyl)amino]butanoic acid is COc1cccc(C(=O)NC(C)CC(=O)O)c1.
What is the InChIKey of 3-[(3-methoxybenzoyl)amino]butanoic acid?
The InChIKey is CKYOLCDGPYPLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(6-11(14)15)13-12(16)9-4-3-5-10(7-9)17-2/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(3-methoxybenzoyl)amino]butanoic acid?
3-[(3-methoxybenzoyl)amino]butanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 43092439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).