tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate

C11H19NO3 — CID 70810981

IUPACtert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate
SMILESCC(=O)C(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(13)9(8-5-6-8)12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyCGSNLTJZQJLSCN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate

tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate (PubChem CID 70810981) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate
PubChem CID70810981
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate
SMILESCC(=O)C(NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(13)9(8-5-6-8)12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyCGSNLTJZQJLSCN-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate (CID 70810981) is tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate is CC(=O)C(NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
The InChIKey is CGSNLTJZQJLSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(13)9(8-5-6-8)12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate?
tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate is sourced from PubChem (CID 70810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).