methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate

C16H31NO3 — CID 64850189

IUPACmethyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC1CC(OCC(C)C)C1(C)C)C(C)C
InChIInChI=1S/C16H31NO3/c1-10(2)9-20-13-8-12(16(13,5)6)17-14(11(3)4)15(18)19-7/h10-14,17H,8-9H2,1-7H3
InChIKeyBSNNNRBKRHQISG-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.61
Rot. Bonds7

About methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate

methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate (PubChem CID 64850189) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
PubChem CID64850189
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Namemethyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC1CC(OCC(C)C)C1(C)C)C(C)C
InChIInChI=1S/C16H31NO3/c1-10(2)9-20-13-8-12(16(13,5)6)17-14(11(3)4)15(18)19-7/h10-14,17H,8-9H2,1-7H3
InChIKeyBSNNNRBKRHQISG-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate (CID 64850189) is methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate is COC(=O)C(NC1CC(OCC(C)C)C1(C)C)C(C)C.
What is the InChIKey of methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate?
The InChIKey is BSNNNRBKRHQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-10(2)9-20-13-8-12(16(13,5)6)17-14(11(3)4)15(18)19-7/h10-14,17H,8-9H2,1-7H3.
What are the key properties of methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate?
methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate has a molecular weight of 285.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methylbutanoate is sourced from PubChem (CID 64850189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).