methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate

C9H15NO2 — CID 62389449

IUPACmethyl 1-(cyclopropylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC1
InChIInChI=1S/C9H15NO2/c1-12-8(11)9(5-2-6-9)10-7-3-4-7/h7,10H,2-6H2,1H3
InChIKeyBZDLOGHVQNVFDN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds3

About methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate

methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate (PubChem CID 62389449) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)cyclobutane-1-carboxylate
PubChem CID62389449
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 1-(cyclopropylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC1
InChIInChI=1S/C9H15NO2/c1-12-8(11)9(5-2-6-9)10-7-3-4-7/h7,10H,2-6H2,1H3
InChIKeyBZDLOGHVQNVFDN-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91827960
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CID 62389284
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CID 43230582
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CID 43230585
CID 43230585
CID 61310386
CID 61310386
CID 62389655
CID 62389655
CID 62389816
CID 62389816
CID 103260414
CID 103260414
CID 103563561
CID 103563561
CID 104046582
CID 104046582
CID 104046584
CID 104046584

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate (CID 62389449) is methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate is COC(=O)C1(NC2CC2)CCC1.
What is the InChIKey of methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate?
The InChIKey is BZDLOGHVQNVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-8(11)9(5-2-6-9)10-7-3-4-7/h7,10H,2-6H2,1H3.
What are the key properties of methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate?
methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).