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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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).