(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid

C12H22N2O3 — CID 104871393

IUPAC(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(NC(=O)N[C@@H](C(=O)O)C(C)C)C1CCC1
InChIInChI=1S/C12H22N2O3/c1-7(2)10(11(15)16)14-12(17)13-8(3)9-5-4-6-9/h7-10H,4-6H2,1-3H3,(H,15,16)(H2,13,14,17)/t8?,10-/m1/s1
InChIKeyIPTBAVWRNFGFNE-LHIURRSHSA-N
MW242.32 g/mol
LogP1.58
Rot. Bonds5

About (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid

(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 104871393) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
PubChem CID104871393
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(NC(=O)N[C@@H](C(=O)O)C(C)C)C1CCC1
InChIInChI=1S/C12H22N2O3/c1-7(2)10(11(15)16)14-12(17)13-8(3)9-5-4-6-9/h7-10H,4-6H2,1-3H3,(H,15,16)(H2,13,14,17)/t8?,10-/m1/s1
InChIKeyIPTBAVWRNFGFNE-LHIURRSHSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic 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

2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198672
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
(2S)-2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198501
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
(2S)-3-methyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]butanoic acid
CID 942050
2-(1-cyclobutylethylamino)-2-oxoacetic acid
CID 104768741
N-(1-cyclobutylethyl)acetamide
CID 115769098
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid (CID 104871393) is (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid is CC(NC(=O)N[C@@H](C(=O)O)C(C)C)C1CCC1.
What is the InChIKey of (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is IPTBAVWRNFGFNE-LHIURRSHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)10(11(15)16)14-12(17)13-8(3)9-5-4-6-9/h7-10H,4-6H2,1-3H3,(H,15,16)(H2,13,14,17)/t8?,10-/m1/s1.
What are the key properties of (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid?
(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 104871393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).