4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid

C16H24N2O3 — CID 82014749

IUPAC4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
SMILESCc1ccc(C(C)NC(=O)NCC(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-11-4-7-14(8-5-11)13(3)18-16(21)17-10-12(2)6-9-15(19)20/h4-5,7-8,12-13H,6,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyXTUSCLDDJDCUGD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.86
Rot. Bonds7

About 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid

4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 82014749) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
PubChem CID82014749
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
SMILESCc1ccc(C(C)NC(=O)NCC(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-11-4-7-14(8-5-11)13(3)18-16(21)17-10-12(2)6-9-15(19)20/h4-5,7-8,12-13H,6,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyXTUSCLDDJDCUGD-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
4-[1-(4-bromophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 81069199
1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 111426760
2-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 104686435
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106215523
3-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]propanoic acid
CID 94221926
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylphenyl)propyl]urea
CID 111506589
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid (CID 82014749) is 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid is Cc1ccc(C(C)NC(=O)NCC(C)CCC(=O)O)cc1.
What is the InChIKey of 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is XTUSCLDDJDCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-4-7-14(8-5-11)13(3)18-16(21)17-10-12(2)6-9-15(19)20/h4-5,7-8,12-13H,6,9-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid?
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 82014749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).