3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid

C15H21NO4 — CID 81064154

IUPAC3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(C)c(OC)c1)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-4-11(7-14(17)18)9-16-15(19)12-6-5-10(2)13(8-12)20-3/h5-6,8,11H,4,7,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyNCQMHHOIENCXEA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.23
Rot. Bonds7

About 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid

3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid (PubChem CID 81064154) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
PubChem CID81064154
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(C)c(OC)c1)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-4-11(7-14(17)18)9-16-15(19)12-6-5-10(2)13(8-12)20-3/h5-6,8,11H,4,7,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyNCQMHHOIENCXEA-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065883
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
(3S)-3-[[(3,4-dimethylbenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65494092
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid (CID 81064154) is 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccc(C)c(OC)c1)CC(=O)O.
What is the InChIKey of 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid?
The InChIKey is NCQMHHOIENCXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-11(7-14(17)18)9-16-15(19)12-6-5-10(2)13(8-12)20-3/h5-6,8,11H,4,7,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid?
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81064154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).