4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid

C16H24N2O3 — CID 62313412

IUPAC4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
SMILESCc1cccc(CCNC(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-8-7-13-6-4-5-12(3)10-13/h4-6,10-11,14H,7-9H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyQKSSEAWZCZOIBY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.34
Rot. Bonds7

About 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid

4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 62313412) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
PubChem CID62313412
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
SMILESCc1cccc(CCNC(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-8-7-13-6-4-5-12(3)10-13/h4-6,10-11,14H,7-9H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyQKSSEAWZCZOIBY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
2-[2-(3-methylphenyl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 62313413
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243
N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
CID 60610481
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
2-acetamido-N-[2-(3-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107769442
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
(2S)-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 30121245
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 103996278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid (CID 62313412) is 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid is Cc1cccc(CCNC(=O)NC(CC(C)C)C(=O)O)c1.
What is the InChIKey of 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is QKSSEAWZCZOIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-8-7-13-6-4-5-12(3)10-13/h4-6,10-11,14H,7-9H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid?
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 62313412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).