methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate

C10H19NO2 — CID 6432399

IUPACmethyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)C1N(C)C
InChIInChI=1S/C10H19NO2/c1-10(2)6-7(9(12)13-5)8(10)11(3)4/h7-8H,6H2,1-5H3
InChIKeyCHHNTSCHGQVFAT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate

methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate (PubChem CID 6432399) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate
PubChem CID6432399
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)C1N(C)C
InChIInChI=1S/C10H19NO2/c1-10(2)6-7(9(12)13-5)8(10)11(3)4/h7-8H,6H2,1-5H3
InChIKeyCHHNTSCHGQVFAT-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate (CID 6432399) is methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate is COC(=O)C1CC(C)(C)C1N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate?
The InChIKey is CHHNTSCHGQVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2)6-7(9(12)13-5)8(10)11(3)4/h7-8H,6H2,1-5H3.
What are the key properties of methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate?
methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3,3-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 6432399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).