2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid

C10H15NO3 — CID 60790933

IUPAC2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)C1CC1
InChIInChI=1S/C10H15NO3/c1-5(6-2-3-6)11-9(12)7-4-8(7)10(13)14/h5-8H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyFZACCRXEWPJMJG-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.62
Rot. Bonds4

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

2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60790933) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60790933
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)C1CC1
InChIInChI=1S/C10H15NO3/c1-5(6-2-3-6)11-9(12)7-4-8(7)10(13)14/h5-8H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyFZACCRXEWPJMJG-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
(1S,6R)-6-(1-cyclopropylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962000
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
(1S,6R)-6-(1-cyclobutylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962744
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
2-(dicyclopropylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974678
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60790933) is 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid is CC(NC(=O)C1CC1C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is FZACCRXEWPJMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5(6-2-3-6)11-9(12)7-4-8(7)10(13)14/h5-8H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60790933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).