2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid

C16H24N2O3 — CID 62002126

IUPAC2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCc1cc(C)cc(N(C)C(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-10(2)6-14(15(19)20)17-16(21)18(5)13-8-11(3)7-12(4)9-13/h7-10,14H,6H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyFJKWGILQEXRVDN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.95
Rot. Bonds5

About 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid

2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 62002126) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID62002126
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCc1cc(C)cc(N(C)C(=O)NC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C16H24N2O3/c1-10(2)6-14(15(19)20)17-16(21)18(5)13-8-11(3)7-12(4)9-13/h7-10,14H,6H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyFJKWGILQEXRVDN-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81085632
(2S)-2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145950
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975873
4-methyl-2-[(2,4,6-trimethylphenyl)carbamoylamino]pentanoic acid
CID 61181835
2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112700709
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
(2S)-2-[[2-[3-(3,5-dimethylphenyl)propanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695545
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 78976302

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid (CID 62002126) is 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid is Cc1cc(C)cc(N(C)C(=O)NC(CC(C)C)C(=O)O)c1.
What is the InChIKey of 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is FJKWGILQEXRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)6-14(15(19)20)17-16(21)18(5)13-8-11(3)7-12(4)9-13/h7-10,14H,6H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid?
2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62002126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).