3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid

C14H19NO3 — CID 81065631

IUPAC3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccccc1C)CC(=O)O
InChIInChI=1S/C14H19NO3/c1-3-11(8-13(16)17)9-15-14(18)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFGUTVMKGEKJATK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds6

About 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid

3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid (PubChem CID 81065631) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
PubChem CID81065631
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccccc1C)CC(=O)O
InChIInChI=1S/C14H19NO3/c1-3-11(8-13(16)17)9-15-14(18)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFGUTVMKGEKJATK-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
3-[[(3-methyl-2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 81067020
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
3-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81064774
3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065883
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 102801321

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid (CID 81065631) is 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccccc1C)CC(=O)O.
What is the InChIKey of 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid?
The InChIKey is FGUTVMKGEKJATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11(8-13(16)17)9-15-14(18)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid?
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).