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

C14H18FNO3 — CID 91636058

IUPAC4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(F)cc(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C14H18FNO3/c1-9-6-10(8-11(15)7-9)13(19)16-14(2,3)5-4-12(17)18/h6-8H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYKSYIAZARONZAG-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.51
Rot. Bonds5

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

4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 91636058) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID91636058
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(F)cc(C(=O)NC(C)(C)CCC(=O)O)c1
InChIInChI=1S/C14H18FNO3/c1-9-6-10(8-11(15)7-9)13(19)16-14(2,3)5-4-12(17)18/h6-8H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYKSYIAZARONZAG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
CID 106168756
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071
N-(2-cyanobutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113244762

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid (CID 91636058) is 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid is Cc1cc(F)cc(C(=O)NC(C)(C)CCC(=O)O)c1.
What is the InChIKey of 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is YKSYIAZARONZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-6-10(8-11(15)7-9)13(19)16-14(2,3)5-4-12(17)18/h6-8H,4-5H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid?
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 91636058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).