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

C14H18FNO3 — CID 112700709

IUPAC2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(F)cc(C(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C14H18FNO3/c1-8(2)4-12(14(18)19)16-13(17)10-5-9(3)6-11(15)7-10/h5-8,12H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUCXKIIXEHUUMJL-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.36
Rot. Bonds5

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

2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 112700709) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID112700709
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(F)cc(C(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C14H18FNO3/c1-8(2)4-12(14(18)19)16-13(17)10-5-9(3)6-11(15)7-10/h5-8,12H,4H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUCXKIIXEHUUMJL-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766
(2R)-2-[(3-bromo-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 113460489
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
(2R)-4-methyl-2-[(2,3,5,6-tetrafluorobenzoyl)amino]pentanoic acid
CID 119364239
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
(2S)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82815432
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid (CID 112700709) is 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid is Cc1cc(F)cc(C(=O)NC(CC(C)C)C(=O)O)c1.
What is the InChIKey of 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is UCXKIIXEHUUMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-8(2)4-12(14(18)19)16-13(17)10-5-9(3)6-11(15)7-10/h5-8,12H,4H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 112700709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).