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

C9H15NO3 — CID 62095026

IUPAC1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-6(2)5-10-7(11)9(3-4-9)8(12)13/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPWYRFLYPVDCVND-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds4

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

1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 62095026) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID62095026
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C9H15NO3/c1-6(2)5-10-7(11)9(3-4-9)8(12)13/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyPWYRFLYPVDCVND-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63959927
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971181
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971184
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971312
1-hydroxy-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 131043772
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid (CID 62095026) is 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid is CC(C)CNC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is PWYRFLYPVDCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-10-7(11)9(3-4-9)8(12)13/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 185.22 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 1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).