(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid

C15H28N2O3 — CID 64741574

IUPAC(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC1CCC(C)C(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-12-6-5-10(3)11(4)8-12/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)/t10?,11?,12?,13-/m1/s1
InChIKeyFBNCFTVZNGRBBJ-NODFVKRRSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds5

About (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid

(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 64741574) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID64741574
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC1CCC(C)C(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-12-6-5-10(3)11(4)8-12/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)/t10?,11?,12?,13-/m1/s1
InChIKeyFBNCFTVZNGRBBJ-NODFVKRRSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
4-methyl-2-[(3-methylcyclopentyl)amino]pentanoic acid
CID 64501348
(2S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 107842992
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 83028431
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid (CID 64741574) is (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)NC1CCC(C)C(C)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is FBNCFTVZNGRBBJ-NODFVKRRSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(2)7-13(14(18)19)17-15(20)16-12-6-5-10(3)11(4)8-12/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)/t10?,11?,12?,13-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 64741574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).