(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid

C11H20N2O3 — CID 62413842

IUPAC(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC1CCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)6-9(10(14)15)13-11(16)12-8-4-3-5-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1
InChIKeyLLSLBNYBEUKVFT-SECBINFHSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds5

About (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid

(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 62413842) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
PubChem CID62413842
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC1CCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)6-9(10(14)15)13-11(16)12-8-4-3-5-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1
InChIKeyLLSLBNYBEUKVFT-SECBINFHSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
(2S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 107842992
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid (CID 62413842) is (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)NC1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is LLSLBNYBEUKVFT-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)6-9(10(14)15)13-11(16)12-8-4-3-5-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid?
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 62413842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).