tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate

C12H23NO3 — CID 59778337

IUPACtert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
SMILESCCN(C[C@H]1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(9-10-7-6-8-15-10)11(14)16-12(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyMGIBHUYXBKYYEA-SNVBAGLBSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds3

About tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate

tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate (PubChem CID 59778337) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
PubChem CID59778337
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
SMILESCCN(C[C@H]1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(9-10-7-6-8-15-10)11(14)16-12(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyMGIBHUYXBKYYEA-SNVBAGLBSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]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

2-(((Tert-butoxy)carbonyl)((oxolan-2-yl)methyl)amino)acetic acid
CID 54595685
5-[1,1-Difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one
CID 101432697
tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 60024802
tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 75424523
Tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001211
Tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
tert-butyl (2S)-2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrrolidine-1-carboxylate
CID 58044402
tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 66592318
tert-butyl (2S)-2-(1,1-difluoropropoxymethyl)pyrrolidine-1-carboxylate
CID 70803116
tert-butyl (2R,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 70846015
Tert-butyl 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 87962505
tert-butyl (2S)-2-(1,1-difluoroethoxymethyl)pyrrolidine-1-carboxylate
CID 90124937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate (CID 59778337) is tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate is CCN(C[C@H]1CCCO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
The InChIKey is MGIBHUYXBKYYEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13(9-10-7-6-8-15-10)11(14)16-12(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 59778337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).