tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate

C11H21NO4 — CID 21029270

IUPACtert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-8-4-5-9(7-13)15-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyGRVCWWOVJVZDCS-BDAKNGLRSA-N
MW231.29 g/mol
LogP1.05
Rot. Bonds3

About tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate

tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate (PubChem CID 21029270) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
PubChem CID21029270
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-8-4-5-9(7-13)15-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyGRVCWWOVJVZDCS-BDAKNGLRSA-N
XLogP1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)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

(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 167111332
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate
CID 155858694
tert-butyl N-[2-(hydroxymethyl)-3-(5-methyloxolan-2-yl)propyl]carbamate
CID 106508878
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
[(3S,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl] methanesulfonate
CID 138696976
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
CID 170911752
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate (CID 21029270) is tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
The InChIKey is GRVCWWOVJVZDCS-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-6-8-4-5-9(7-13)15-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate?
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 21029270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).