2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

C13H22N2O4 — CID 54876409

IUPAC2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(N(CCO)C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-14-4-2-9(3-5-14)15(6-7-16)12(17)10-8-11(10)13(18)19/h9-11,16H,2-8H2,1H3,(H,18,19)
InChIKeyWCFOBIKESHHKJL-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.38
Rot. Bonds5

About 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54876409) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54876409
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCC(N(CCO)C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-14-4-2-9(3-5-14)15(6-7-16)12(17)10-8-11(10)13(18)19/h9-11,16H,2-8H2,1H3,(H,18,19)
InChIKeyWCFOBIKESHHKJL-UHFFFAOYSA-N
XLogP-0.38
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]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 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54876409) is 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is CN1CCC(N(CCO)C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WCFOBIKESHHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-14-4-2-9(3-5-14)15(6-7-16)12(17)10-8-11(10)13(18)19/h9-11,16H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54876409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).