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

C11H21NO5 — CID 167111332

IUPACtert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(O)O)O1
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)/t7-,8-/m1/s1
InChIKeyDPLFCQRAJJEFSZ-HTQZYQBOSA-N
MW247.29 g/mol
LogP0.37
Rot. Bonds3

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

tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate (PubChem CID 167111332) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
PubChem CID167111332
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(O)O)O1
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)/t7-,8-/m1/s1
InChIKeyDPLFCQRAJJEFSZ-HTQZYQBOSA-N
XLogP0.37
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
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-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
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-[(5-methyloxolan-2-yl)methylamino]butan-2-yl]carbamate
CID 107247044
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
CID 130681607

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate (CID 167111332) is tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(O)O)O1.
What is the InChIKey of tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate?
The InChIKey is DPLFCQRAJJEFSZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)/t7-,8-/m1/s1.
What are the key properties of tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate?
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate has a molecular weight of 247.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 167111332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).