butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate

C11H21NO3 — CID 142668391

IUPACbutyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)C1(CCO)CC1
InChIInChI=1S/C11H21NO3/c1-3-4-9-15-10(14)12(2)11(5-6-11)7-8-13/h13H,3-9H2,1-2H3
InChIKeyRTTCSKQCRRACLB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds6

About butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate

butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate (PubChem CID 142668391) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate
PubChem CID142668391
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namebutyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)C1(CCO)CC1
InChIInChI=1S/C11H21NO3/c1-3-4-9-15-10(14)12(2)11(5-6-11)7-8-13/h13H,3-9H2,1-2H3
InChIKeyRTTCSKQCRRACLB-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate 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 butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate?
The IUPAC name of butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate (CID 142668391) is butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate.
What is the SMILES notation for butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate?
The canonical SMILES for butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate is CCCCOC(=O)N(C)C1(CCO)CC1.
What is the InChIKey of butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate?
The InChIKey is RTTCSKQCRRACLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9-15-10(14)12(2)11(5-6-11)7-8-13/h13H,3-9H2,1-2H3.
What are the key properties of butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate?
butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(2-hydroxyethyl)cyclopropyl]-N-methylcarbamate is sourced from PubChem (CID 142668391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).