2-(butanoylamino)-4,5-dimethoxybenzoate

C13H16NO5- — CID 7165151

IUPAC2-(butanoylamino)-4,5-dimethoxybenzoate
SMILESCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]
InChIInChI=1S/C13H17NO5/c1-4-5-12(15)14-9-7-11(19-3)10(18-2)6-8(9)13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)/p-1
InChIKeyHLFVHUOOGSEASG-UHFFFAOYSA-M
MW266.27 g/mol
LogP0.81
Rot. Bonds6

About 2-(butanoylamino)-4,5-dimethoxybenzoate

2-(butanoylamino)-4,5-dimethoxybenzoate (PubChem CID 7165151) has the molecular formula C13H16NO5- and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(butanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-(butanoylamino)-4,5-dimethoxybenzoate
PubChem CID7165151
Molecular FormulaC13H16NO5-
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-(butanoylamino)-4,5-dimethoxybenzoate
SMILESCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]
InChIInChI=1S/C13H17NO5/c1-4-5-12(15)14-9-7-11(19-3)10(18-2)6-8(9)13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)/p-1
InChIKeyHLFVHUOOGSEASG-UHFFFAOYSA-M
XLogP0.81
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(butanoylamino)-4,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethoxy-2-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 2221824
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
2-(butanoylamino)-5-[4-(butanoylamino)-3-carboxylatophenyl]benzoate
CID 6982576
2-(4-aminobutanoylamino)-4,5-dimethoxybenzoic acid
CID 61157131
4,5-dimethoxy-2-(pent-4-enoylamino)benzoic acid
CID 62684146
4,5-dimethoxy-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937657
4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoate
CID 9322415
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
N-(4-isocyanato-2-methoxyphenyl)butanamide
CID 169353525

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of 2-(butanoylamino)-4,5-dimethoxybenzoate (CID 7165151) is 2-(butanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for 2-(butanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for 2-(butanoylamino)-4,5-dimethoxybenzoate is CCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-].
What is the InChIKey of 2-(butanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is HLFVHUOOGSEASG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO5/c1-4-5-12(15)14-9-7-11(19-3)10(18-2)6-8(9)13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 2-(butanoylamino)-4,5-dimethoxybenzoate?
2-(butanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 266.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 7165151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).