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

C10H19NO3 — CID 115071732

IUPACtert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate
SMILESCC(O)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C10H19NO3/c1-7(12)10(5-6-10)11-8(13)14-9(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyQAGVGYUXBXZGAW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.42
Rot. Bonds2

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

tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate (PubChem CID 115071732) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate
PubChem CID115071732
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate
SMILESCC(O)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C10H19NO3/c1-7(12)10(5-6-10)11-8(13)14-9(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyQAGVGYUXBXZGAW-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.42
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-(1-hydroxyethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate (CID 115071732) is tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate is CC(O)C1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate?
The InChIKey is QAGVGYUXBXZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)10(5-6-10)11-8(13)14-9(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate?
tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-hydroxyethyl)cyclopropyl]carbamate is sourced from PubChem (CID 115071732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).