[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid

C8H14N2O5 — CID 175783825

IUPAC[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid
SMILESNC(=O)OC[C@@H]1CC[C@@H](NC(=O)O)CO1
InChIInChI=1S/C8H14N2O5/c9-7(11)15-4-6-2-1-5(3-14-6)10-8(12)13/h5-6,10H,1-4H2,(H2,9,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyAOYGKRLUPPPUCZ-RITPCOANSA-N
MW218.21 g/mol
LogP-0.10
Rot. Bonds3

About [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid

[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid (PubChem CID 175783825) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid
PubChem CID175783825
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid
SMILESNC(=O)OC[C@@H]1CC[C@@H](NC(=O)O)CO1
InChIInChI=1S/C8H14N2O5/c9-7(11)15-4-6-2-1-5(3-14-6)10-8(12)13/h5-6,10H,1-4H2,(H2,9,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyAOYGKRLUPPPUCZ-RITPCOANSA-N
XLogP-0.10
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
CID 164580567
[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
CID 90108644
[(3R,6S)-6-(iodomethyl)oxan-3-yl]carbamic acid
CID 141137968
[6-(cyanomethyl)oxan-3-yl]carbamic acid
CID 118484483
[(3R,6R)-6-(cyanomethyl)oxan-3-yl]carbamic acid
CID 118484501
[(3R,6S)-6-[[3-(trifluoromethoxy)cyclobutyl]methoxymethyl]oxan-3-yl]carbamic acid
CID 155211571
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
CID 174157961
carbamoylurea;oxiran-2-ylmethyl carbamate
CID 87093166
[(3R,6S)-6-[2-(benzotriazol-1-yloxy)-2-oxoethyl]oxan-3-yl]carbamic acid
CID 89051469
N-[6-(hydroxymethyl)oxan-3-yl]acetamide
CID 89371393
N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 172572264
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141

Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid?
The IUPAC name of [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid (CID 175783825) is [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid?
The canonical SMILES for [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid is NC(=O)OC[C@@H]1CC[C@@H](NC(=O)O)CO1.
What is the InChIKey of [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid?
The InChIKey is AOYGKRLUPPPUCZ-RITPCOANSA-N. The full InChI is InChI=1S/C8H14N2O5/c9-7(11)15-4-6-2-1-5(3-14-6)10-8(12)13/h5-6,10H,1-4H2,(H2,9,11)(H,12,13)/t5-,6+/m1/s1.
What are the key properties of [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid?
[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid has a molecular weight of 218.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid is sourced from PubChem (CID 175783825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).