3-[(2,4-dimethoxybenzoyl)amino]butanoic acid

C13H17NO5 — CID 43240643

IUPAC3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NC(C)CC(=O)O)c(OC)c1
InChIInChI=1S/C13H17NO5/c1-8(6-12(15)16)14-13(17)10-5-4-9(18-2)7-11(10)19-3/h4-5,7-8H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOJWDCTPWPUYMIN-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.30
Rot. Bonds6

About 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid

3-[(2,4-dimethoxybenzoyl)amino]butanoic acid (PubChem CID 43240643) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
PubChem CID43240643
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NC(C)CC(=O)O)c(OC)c1
InChIInChI=1S/C13H17NO5/c1-8(6-12(15)16)14-13(17)10-5-4-9(18-2)7-11(10)19-3/h4-5,7-8H,6H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOJWDCTPWPUYMIN-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
3-[(2,4-dimethoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350859
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide
CID 10613930

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid (CID 43240643) is 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid is COc1ccc(C(=O)NC(C)CC(=O)O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
The InChIKey is OJWDCTPWPUYMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(6-12(15)16)14-13(17)10-5-4-9(18-2)7-11(10)19-3/h4-5,7-8H,6H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 43240643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).