ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate

C14H17NO3 — CID 102105176

IUPACethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)12-8-11(12)13(16)15-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,15,16)
InChIKeyBBRLFKCHRYHLKN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.50
Rot. Bonds5

About ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate

ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 102105176) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID102105176
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-18-14(17)12-8-11(12)13(16)15-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,15,16)
InChIKeyBBRLFKCHRYHLKN-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381
benzene;ethyl N-benzylcarbamate
CID 67715166
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
trans-[2-(benzylamino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2093395
trans-[2-(benzylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2093394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate (CID 102105176) is ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is BBRLFKCHRYHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-14(17)12-8-11(12)13(16)15-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate?
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102105176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).