5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

C15H20N2O4 — CID 62964654

IUPAC5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCCc1ccc(NC(=O)NC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-3-11-4-6-12(7-5-11)16-15(21)17-13(18)8-10(2)9-14(19)20/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyVUBPRFPZCKKAMR-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.40
Rot. Bonds6

About 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid

5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 62964654) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
PubChem CID62964654
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCCc1ccc(NC(=O)NC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-3-11-4-6-12(7-5-11)16-15(21)17-13(18)8-10(2)9-14(19)20/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyVUBPRFPZCKKAMR-UHFFFAOYSA-N
XLogP2.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
5-[(3-bromo-4-methylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 63334744
2-[2-[(4-ethylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328874
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
(3S)-5-(4-ethoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 753761
5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964130
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
5-(4-tert-butylanilino)-3-methyl-5-oxopentanoic acid
CID 62965373

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid (CID 62964654) is 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is CCc1ccc(NC(=O)NC(=O)CC(C)CC(=O)O)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is VUBPRFPZCKKAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-11-4-6-12(7-5-11)16-15(21)17-13(18)8-10(2)9-14(19)20/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid?
5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).