methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate

C8H13NO4 — CID 101432003

IUPACmethyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate
SMILESCOC(=O)N[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C8H13NO4/c1-8(2)4-13-6(10)5(8)9-7(11)12-3/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1
InChIKeyOREXLQFUEMOWEQ-YFKPBYRVSA-N
MW187.19 g/mol
LogP0.29
Rot. Bonds1

About methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate

methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate (PubChem CID 101432003) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate
PubChem CID101432003
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate
SMILESCOC(=O)N[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C8H13NO4/c1-8(2)4-13-6(10)5(8)9-7(11)12-3/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1
InChIKeyOREXLQFUEMOWEQ-YFKPBYRVSA-N
XLogP0.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-(4,4-dimethyl-2-oxooxolan-3-yl)acetamide
CID 166301929
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-bromo-3-methylbutanoate
CID 15517932
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-2-bromo-3,3-dimethylbutanoate
CID 11109577
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate
CID 11287907
4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one
CID 12678995
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
CID 144704866
methyl 2-[2-[(3S)-4,4-dimethyl-2-oxooxolan-3-yl]oxycarbonyl-5-nitrophenyl]-4-nitrobenzoate
CID 101139220
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550
3-(2-hydroxybenzoyl)-4,4-dimethyloxolan-2-one
CID 13244745
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (Z)-2-bromohex-3-enoate
CID 134988547

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate?
The IUPAC name of methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate (CID 101432003) is methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate is COC(=O)N[C@H]1C(=O)OCC1(C)C.
What is the InChIKey of methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate?
The InChIKey is OREXLQFUEMOWEQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2)4-13-6(10)5(8)9-7(11)12-3/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1.
What are the key properties of methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate?
methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate has a molecular weight of 187.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 101432003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).