(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid

C12H22N2O3 — CID 2050014

IUPAC(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m1/s1
InChIKeyLYSPLFOJTNNDFB-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds4

About (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid

(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 2050014) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
PubChem CID2050014
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m1/s1
InChIKeyLYSPLFOJTNNDFB-SNVBAGLBSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 79010158
2-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
(2R)-3-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79009869
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
CID 104871393
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
(2S)-N-cycloheptyl-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-3-methylbutanamide
CID 51719234
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid (CID 2050014) is (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is LYSPLFOJTNNDFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid?
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 2050014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).