tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate

C10H19NO3 — CID 12993139

IUPACtert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCO)CC1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(4-5-10)6-7-12/h12H,4-7H2,1-3H3,(H,11,13)
InChIKeyZYKQKYDJZPJMEF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.43
Rot. Bonds3

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

tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate (PubChem CID 12993139) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate
PubChem CID12993139
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCO)CC1
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(4-5-10)6-7-12/h12H,4-7H2,1-3H3,(H,11,13)
InChIKeyZYKQKYDJZPJMEF-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate (CID 12993139) is tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(CCO)CC1.
What is the InChIKey of tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate?
The InChIKey is ZYKQKYDJZPJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(4-5-10)6-7-12/h12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate?
tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate is sourced from PubChem (CID 12993139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).