3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid

C15H21NO4 — CID 81065883

IUPAC3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cc(C)ccc1OC)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-4-11(8-14(17)18)9-16-15(19)12-7-10(2)5-6-13(12)20-3/h5-7,11H,4,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUWOYZALZLWDKAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.23
Rot. Bonds7

About 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid

3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid (PubChem CID 81065883) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
PubChem CID81065883
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cc(C)ccc1OC)CC(=O)O
InChIInChI=1S/C15H21NO4/c1-4-11(8-14(17)18)9-16-15(19)12-7-10(2)5-6-13(12)20-3/h5-7,11H,4,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUWOYZALZLWDKAZ-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

2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
methyl 2-iodo-3-[(2-methoxy-5-methylbenzoyl)amino]propanoate
CID 103493302
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64994334
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid (CID 81065883) is 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1cc(C)ccc1OC)CC(=O)O.
What is the InChIKey of 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid?
The InChIKey is UWOYZALZLWDKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-11(8-14(17)18)9-16-15(19)12-7-10(2)5-6-13(12)20-3/h5-7,11H,4,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid?
3-[[(2-methoxy-5-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-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).