5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

C13H15FN2O4 — CID 62964130

IUPAC5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN2O4/c1-8(7-12(18)19)6-11(17)16-13(20)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyFJTYLUQGJYRLMU-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.97
Rot. Bonds5

About 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964130) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62964130
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN2O4/c1-8(7-12(18)19)6-11(17)16-13(20)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyFJTYLUQGJYRLMU-UHFFFAOYSA-N
XLogP1.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62941863
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
N-[(2-fluorophenyl)carbamoyl]-2-(N-methylanilino)acetamide
CID 8689408
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795318
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964654
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578708
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9307671
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
CID 5130491

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (CID 62964130) is 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)Nc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is FJTYLUQGJYRLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-8(7-12(18)19)6-11(17)16-13(20)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 282.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).