tert-butyl N-(oxiran-2-ylmethyl)carbamate

C8H15NO3 — CID 11062891

IUPACtert-butyl N-(oxiran-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CO1
InChIInChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyZBBGKXNNTNBRBH-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.91
Rot. Bonds2

About tert-butyl N-(oxiran-2-ylmethyl)carbamate

tert-butyl N-(oxiran-2-ylmethyl)carbamate (PubChem CID 11062891) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is tert-butyl N-(oxiran-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxiran-2-ylmethyl)carbamate
PubChem CID11062891
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nametert-butyl N-(oxiran-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CO1
InChIInChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyZBBGKXNNTNBRBH-UHFFFAOYSA-N
XLogP0.91
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl N-(oxiran-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N-Boc-2,3-epoxypropylamine
CID 10080852
tert-butyl N-[2-(3-aminopropoxy)ethyl]carbamate
CID 45092310
tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate
CID 58520778
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-{3-[2-(methylamino)ethoxy]propyl}carbamate
CID 165942533
tert-butyl N-((2-methyloxiran-2-yl)methyl)carbamate
CID 10012687
tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632
tert-butyl N-(3-amino-2-methoxypropyl)carbamate hydrochloride
CID 155978350
tert-butyl N-[(2S)-3-amino-2-methoxypropyl]carbamate
CID 165991398
carbamic acid, [(1S)-1-(2S)-oxiranylethyl]-, 1,1-dimethylethyl ester
CID 11084587
Carbamic acid, [2-(1,1-dimethylethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)
CID 11195314
Tert-butyl N-(2-methoxyethyl)carbamate
CID 11788575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxiran-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(oxiran-2-ylmethyl)carbamate (CID 11062891) is tert-butyl N-(oxiran-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(oxiran-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(oxiran-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CO1.
What is the InChIKey of tert-butyl N-(oxiran-2-ylmethyl)carbamate?
The InChIKey is ZBBGKXNNTNBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of tert-butyl N-(oxiran-2-ylmethyl)carbamate?
tert-butyl N-(oxiran-2-ylmethyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxiran-2-ylmethyl)carbamate is sourced from PubChem (CID 11062891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).