5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid

C13H15FN2O4 — CID 28931858

IUPAC5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1ccc(F)cc1NC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H15FN2O4/c1-8-5-6-9(14)7-10(8)15-13(20)16-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyABQDCJCHPGIOIP-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.04
Rot. Bonds5

About 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid

5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931858) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28931858
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1ccc(F)cc1NC(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C13H15FN2O4/c1-8-5-6-9(14)7-10(8)15-13(20)16-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyABQDCJCHPGIOIP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-chloro-5-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 107528879
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
5-[(4-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931821
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
4-[(2-bromo-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28939564
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
CID 110482697
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931546
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931571

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid (CID 28931858) is 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid is Cc1ccc(F)cc1NC(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ABQDCJCHPGIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-8-5-6-9(14)7-10(8)15-13(20)16-11(17)3-2-4-12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid?
5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 282.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).