2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate

C9H12NO3- — CID 18434341

IUPAC2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCN(C(=O)C1CC1C(=O)[O-])C1CC1
InChIInChI=1S/C9H13NO3/c1-10(5-2-3-5)8(11)6-4-7(6)9(12)13/h5-7H,2-4H2,1H3,(H,12,13)/p-1
InChIKeyGTWKAFFWQLIDSD-UHFFFAOYSA-M
MW182.20 g/mol
LogP-1.01
Rot. Bonds3

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

2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 18434341) has the molecular formula C9H12NO3- and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID18434341
Molecular FormulaC9H12NO3-
Molecular Weight182.20 g/mol
Exact Mass182.08
IUPAC Name2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCN(C(=O)C1CC1C(=O)[O-])C1CC1
InChIInChI=1S/C9H13NO3/c1-10(5-2-3-5)8(11)6-4-7(6)9(12)13/h5-7H,2-4H2,1H3,(H,12,13)/p-1
InChIKeyGTWKAFFWQLIDSD-UHFFFAOYSA-M
XLogP-1.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
methyl 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate
CID 54557644
2-[cyclobutyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115730407
cis-(1R,2S)-N-cyclooctyl-N-methyl-2-nitrocyclopropane-1-carboxamide
CID 96998079
2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791236
2-[methyl(oxolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82732714
2-[methyl-(4-methylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579803
2,5-dimethylcyclohexane-1,4-dicarboxylate
CID 21247464
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
CID 79750899
2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate
CID 18434269

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate (CID 18434341) is 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate is CN(C(=O)C1CC1C(=O)[O-])C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is GTWKAFFWQLIDSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO3/c1-10(5-2-3-5)8(11)6-4-7(6)9(12)13/h5-7H,2-4H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate?
2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 182.20 g/mol, XLogP of -1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 18434341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).