1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid

C7H13NO2 — CID 23070141

IUPAC1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)CC1(C(=O)O)CC1
InChIInChI=1S/C7H13NO2/c1-8(2)5-7(3-4-7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyIAQPYMSFAIDGFT-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds3

About 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid

1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 23070141) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID23070141
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)CC1(C(=O)O)CC1
InChIInChI=1S/C7H13NO2/c1-8(2)5-7(3-4-7)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyIAQPYMSFAIDGFT-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid (CID 23070141) is 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid is CN(C)CC1(C(=O)O)CC1.
What is the InChIKey of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IAQPYMSFAIDGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8(2)5-7(3-4-7)6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 23070141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).