methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate

C9H17NO2 — CID 134989174

IUPACmethyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)C1N(C)C
InChIInChI=1S/C9H17NO2/c1-6-5-7(9(11)12-4)8(6)10(2)3/h6-8H,5H2,1-4H3
InChIKeyRAUJWSYANXAKSI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds2

About methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate

methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate (PubChem CID 134989174) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate
PubChem CID134989174
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)C1N(C)C
InChIInChI=1S/C9H17NO2/c1-6-5-7(9(11)12-4)8(6)10(2)3/h6-8H,5H2,1-4H3
InChIKeyRAUJWSYANXAKSI-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate (CID 134989174) is methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate is COC(=O)C1CC(C)C1N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate?
The InChIKey is RAUJWSYANXAKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-5-7(9(11)12-4)8(6)10(2)3/h6-8H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate?
methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 134989174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).