2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C9H13NO3 — CID 18434270

IUPAC2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid
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)
InChIKeyLZFTWESTXKQDKE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.23
Rot. Bonds4

About 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid

2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 18434270) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID18434270
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid
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)
InChIKeyLZFTWESTXKQDKE-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 18434270) is 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is LZFTWESTXKQDKE-UHFFFAOYSA-N. 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).
What are the key properties of 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 18434270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).