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

C14H19NO5 — CID 65218074

IUPAC2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C14H19NO5/c1-4-9(14(17)18)8-15-13(16)11-6-5-10(19-2)7-12(11)20-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBUBONQPRSSEYEM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.54
Rot. Bonds7

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

2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid (PubChem CID 65218074) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
PubChem CID65218074
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C14H19NO5/c1-4-9(14(17)18)8-15-13(16)11-6-5-10(19-2)7-12(11)20-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBUBONQPRSSEYEM-UHFFFAOYSA-N
XLogP1.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
2-[[(2-methoxy-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 104783302
methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-iodopropanoate
CID 103493347
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
CID 107158363
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid (CID 65218074) is 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(OC)cc1OC)C(=O)O.
What is the InChIKey of 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid?
The InChIKey is BUBONQPRSSEYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-9(14(17)18)8-15-13(16)11-6-5-10(19-2)7-12(11)20-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid?
2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.54, 7 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]methyl]butanoic acid is sourced from PubChem (CID 65218074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).