2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid

C11H20N2O3 — CID 62416183

IUPAC2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)NC1CCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8(9(14)15)13-10(16)12-7-5-4-6-7/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyZCLQHOVORHDIPO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds3

About 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid

2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 62416183) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID62416183
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)NC1CCC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8(9(14)15)13-10(16)12-7-5-4-6-7/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyZCLQHOVORHDIPO-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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

(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 103928020
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114120347
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61408334
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103928209
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
(2S)-3,3-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 63661261
(2S)-2-[(2,6-dimethylpiperidin-1-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 83020650

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 62416183) is 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)NC1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is ZCLQHOVORHDIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)8(9(14)15)13-10(16)12-7-5-4-6-7/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid?
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 62416183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).