5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid

C14H18FNO3 — CID 82682663

IUPAC5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cccc(C(=O)NCC(C)CCC(=O)O)c1F
InChIInChI=1S/C14H18FNO3/c1-9(6-7-12(17)18)8-16-14(19)11-5-3-4-10(2)13(11)15/h3-5,9H,6-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHXUWKJYUWIMOMW-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.36
Rot. Bonds6

About 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid

5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 82682663) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID82682663
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cccc(C(=O)NCC(C)CCC(=O)O)c1F
InChIInChI=1S/C14H18FNO3/c1-9(6-7-12(17)18)8-16-14(19)11-5-3-4-10(2)13(11)15/h3-5,9H,6-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHXUWKJYUWIMOMW-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
4-ethyl-6-[(2-fluoro-3-methylbenzoyl)amino]hexanoic acid
CID 81479895
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
4-methyl-5-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]pentanoic acid
CID 82008900
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid (CID 82682663) is 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid is Cc1cccc(C(=O)NCC(C)CCC(=O)O)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is HXUWKJYUWIMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(6-7-12(17)18)8-16-14(19)11-5-3-4-10(2)13(11)15/h3-5,9H,6-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82682663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).