methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate

C12H21NO3 — CID 115184467

IUPACmethyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)CC(C)(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-11(2,3)8-13(4)9(14)12(6-7-12)10(15)16-5/h6-8H2,1-5H3
InChIKeyNJKLFTOGKCBFGV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds3

About methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate

methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 115184467) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID115184467
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)N(C)CC(C)(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-11(2,3)8-13(4)9(14)12(6-7-12)10(15)16-5/h6-8H2,1-5H3
InChIKeyNJKLFTOGKCBFGV-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2,2-dimethylpropyl)-N-methylcyclopropane-1-carboxamide
CID 65466006
methyl 1-[2-cyclopentylethyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184337
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185096
methyl 1-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184479
dimethyl 4,4-diacetylcyclohexane-1,1-dicarboxylate
CID 71078652
methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185155
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
3-[2,2-dimethylpropyl(methyl)amino]-3-oxopropanoic acid
CID 62232473
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184272

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate (CID 115184467) is methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)N(C)CC(C)(C)C)CC1.
What is the InChIKey of methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is NJKLFTOGKCBFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)8-13(4)9(14)12(6-7-12)10(15)16-5/h6-8H2,1-5H3.
What are the key properties of methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2,2-dimethylpropyl(methyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115184467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).