methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate

C9H17NO2 — CID 62389126

IUPACmethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC1
InChIInChI=1S/C9H17NO2/c1-7(2)10-9(5-4-6-9)8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyXIYJVSPHBDJQPC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds3

About methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate

methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate (PubChem CID 62389126) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
PubChem CID62389126
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCC1
InChIInChI=1S/C9H17NO2/c1-7(2)10-9(5-4-6-9)8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyXIYJVSPHBDJQPC-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(propan-2-ylamino)thiane-4-carboxylate
CID 61317383
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
methyl 3-(dimethylamino)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79637045
methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 106820599
methyl 3-(2-methylbutylsulfanyl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 107756037
methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467607
methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 106822542
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
methyl 8-(butan-2-ylamino)spiro[4.5]decane-8-carboxylate
CID 114818417
methyl 3-[butyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627274
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717

Frequently Asked Questions

What is the IUPAC name of methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate (CID 62389126) is methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate is COC(=O)C1(NC(C)C)CCC1.
What is the InChIKey of methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The InChIKey is XIYJVSPHBDJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-9(5-4-6-9)8(11)12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).