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

C13H17NO5 — CID 43387212

IUPAC2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C13H17NO5/c1-4-10(13(16)17)14-12(15)9-6-5-8(18-2)7-11(9)19-3/h5-7,10H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGKGQGHIYPCEJQQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.30
Rot. Bonds6

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

2-[(2,4-dimethoxybenzoyl)amino]butanoic acid (PubChem CID 43387212) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
PubChem CID43387212
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C13H17NO5/c1-4-10(13(16)17)14-12(15)9-6-5-8(18-2)7-11(9)19-3/h5-7,10H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGKGQGHIYPCEJQQ-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

2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
CID 65218074
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]butanoic acid
CID 129414819
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide
CID 62652163

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid (CID 43387212) is 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid is CCC(NC(=O)c1ccc(OC)cc1OC)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
The InChIKey is GKGQGHIYPCEJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-10(13(16)17)14-12(15)9-6-5-8(18-2)7-11(9)19-3/h5-7,10H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid?
2-[(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 2-[(2,4-dimethoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 43387212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).