3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid

C10H18N2O3 — CID 64700127

IUPAC3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)NC1CCC1
InChIInChI=1S/C10H18N2O3/c1-10(2,6-8(13)14)12-9(15)11-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyUGSPPXLYUSQPRX-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.09
Rot. Bonds4

About 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid

3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid (PubChem CID 64700127) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
PubChem CID64700127
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)NC1CCC1
InChIInChI=1S/C10H18N2O3/c1-10(2,6-8(13)14)12-9(15)11-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyUGSPPXLYUSQPRX-UHFFFAOYSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
CID 64700488
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
3-methyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 64702589
1-tert-butyl-3-cyclobutylurea
CID 17217146
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
CID 64701436
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
CID 64701514
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid (CID 64700127) is 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)NC1CCC1.
What is the InChIKey of 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid?
The InChIKey is UGSPPXLYUSQPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,6-8(13)14)12-9(15)11-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid?
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64700127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).