tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate

C10H17NO4 — CID 11390264

IUPACtert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate
SMILESC[C@@H]1C(=O)OC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-7(5-14-8(6)12)11-9(13)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7+/m0/s1
InChIKeyIDUMZHLENKDPCB-NKWVEPMBSA-N
MW215.25 g/mol
LogP1.07
Rot. Bonds1

About tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate (PubChem CID 11390264) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate
PubChem CID11390264
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate
SMILESC[C@@H]1C(=O)OC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-6-7(5-14-8(6)12)11-9(13)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7+/m0/s1
InChIKeyIDUMZHLENKDPCB-NKWVEPMBSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-((3R)-2-oxooxolan-3-yl)carbamate
CID 688319
tert-Butyl (tetrahydro-2-oxo-3-furanyl)carbamate
CID 3297380
(S)-tert-Butyl (5-oxotetrahydrofuran-3-yl)carbamate
CID 10943528
Furan-3-carbamic acid, tetrahydro-5,5-dimethyl-2-oxo-, ethyl ester
CID 53715
ethyl (2R)-2-(((tert-butoxy)carbonyl)amino)butanoate
CID 14420089
rac-(3R,4S)-4-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylic acid
CID 105489052
(3R,4R)-4-(((Tert-butoxy)carbonyl)amino)oxolane-3-carboxylic acid
CID 129981130
N-(tert-Butoxycarbonyl)-L-valine methyl ester
CID 11031717
(3R)-3-(((tert-butoxy)carbonyl)amino)-4-methoxybutanoic acid
CID 132398544
(3R)-4-(tert-butoxy)-3-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 137944793
methyl (2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 100957174

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate (CID 11390264) is tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate is C[C@@H]1C(=O)OC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate?
The InChIKey is IDUMZHLENKDPCB-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-7(5-14-8(6)12)11-9(13)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)/t6-,7+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate has a molecular weight of 215.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 11390264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).