cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H19NO3 — CID 93344004

IUPACcis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-12(6-7(2)3)10(13)8-5-9(8)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyVCFXJDRJLGLTHA-BDAKNGLRSA-N
MW213.28 g/mol
LogP1.21
Rot. Bonds5

About cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93344004) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93344004
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-12(6-7(2)3)10(13)8-5-9(8)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyVCFXJDRJLGLTHA-BDAKNGLRSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-[ethyl(2-methylpropyl)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 cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93344004) is cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is CCN(CC(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VCFXJDRJLGLTHA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-12(6-7(2)3)10(13)8-5-9(8)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93344004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).