5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid

C15H20N2O4 — CID 61102427

IUPAC5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(C(=O)NC(=O)CCCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C15H20N2O4/c1-3-17(12-7-4-6-11(2)10-12)15(21)16-13(18)8-5-9-14(19)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,20)(H,16,18,21)
InChIKeyLUWSYTRCYYUZGE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.31
Rot. Bonds6

About 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid

5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61102427) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61102427
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(C(=O)NC(=O)CCCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C15H20N2O4/c1-3-17(12-7-4-6-11(2)10-12)15(21)16-13(18)8-5-9-14(19)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,20)(H,16,18,21)
InChIKeyLUWSYTRCYYUZGE-UHFFFAOYSA-N
XLogP2.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82014581
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
CID 43146327
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
CID 107737356
2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842019

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid (CID 61102427) is 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid is CCN(C(=O)NC(=O)CCCC(=O)O)c1cccc(C)c1.
What is the InChIKey of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is LUWSYTRCYYUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-17(12-7-4-6-11(2)10-12)15(21)16-13(18)8-5-9-14(19)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61102427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).