2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate

C9H12NO3- — CID 18434269

IUPAC2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate
SMILESO=C([O-])C1CC1C(=O)NCC1CC1
InChIInChI=1S/C9H13NO3/c11-8(10-4-5-1-2-5)6-3-7(6)9(12)13/h5-7H,1-4H2,(H,10,11)(H,12,13)/p-1
InChIKeyLZFTWESTXKQDKE-UHFFFAOYSA-M
MW182.20 g/mol
LogP-1.10
Rot. Bonds4

About 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate

2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 18434269) has the molecular formula C9H12NO3- and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID18434269
Molecular FormulaC9H12NO3-
Molecular Weight182.20 g/mol
Exact Mass182.08
IUPAC Name2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate
SMILESO=C([O-])C1CC1C(=O)NCC1CC1
InChIInChI=1S/C9H13NO3/c11-8(10-4-5-1-2-5)6-3-7(6)9(12)13/h5-7H,1-4H2,(H,10,11)(H,12,13)/p-1
InChIKeyLZFTWESTXKQDKE-UHFFFAOYSA-M
XLogP-1.10
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106120411
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106133416
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide
CID 124723653
cis-(1R,2S)-N-(cyclopropylmethyl)-2-(1H-imidazole-5-carbonyl)cyclopropane-1-carboxamide;hydrochloride
CID 67760337
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-(cyclopropylmethyl)-3-methylpiperidine-4-carboxamide
CID 130516172
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate (CID 18434269) is 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate is O=C([O-])C1CC1C(=O)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is LZFTWESTXKQDKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO3/c11-8(10-4-5-1-2-5)6-3-7(6)9(12)13/h5-7H,1-4H2,(H,10,11)(H,12,13)/p-1.
What are the key properties of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate?
2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 182.20 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 18434269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).