[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate

C8H15NO4 — CID 139541071

IUPAC[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
SMILESCC1(C)C[C@@H](OC(N)=O)[C@@H](O)CO1
InChIInChI=1S/C8H15NO4/c1-8(2)3-6(13-7(9)11)5(10)4-12-8/h5-6,10H,3-4H2,1-2H3,(H2,9,11)/t5-,6+/m0/s1
InChIKeyAQKVCSLRPZHNHD-NTSWFWBYSA-N
MW189.21 g/mol
LogP0.01
Rot. Bonds1

About [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate

[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate (PubChem CID 139541071) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate.

Molecular Properties

Compound Name[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
PubChem CID139541071
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
SMILESCC1(C)C[C@@H](OC(N)=O)[C@@H](O)CO1
InChIInChI=1S/C8H15NO4/c1-8(2)3-6(13-7(9)11)5(10)4-12-8/h5-6,10H,3-4H2,1-2H3,(H2,9,11)/t5-,6+/m0/s1
InChIKeyAQKVCSLRPZHNHD-NTSWFWBYSA-N
XLogP0.01
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate?
The IUPAC name of [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate (CID 139541071) is [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate.
What is the SMILES notation for [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate?
The canonical SMILES for [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate is CC1(C)C[C@@H](OC(N)=O)[C@@H](O)CO1.
What is the InChIKey of [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate?
The InChIKey is AQKVCSLRPZHNHD-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2)3-6(13-7(9)11)5(10)4-12-8/h5-6,10H,3-4H2,1-2H3,(H2,9,11)/t5-,6+/m0/s1.
What are the key properties of [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate?
[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate has a molecular weight of 189.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate is sourced from PubChem (CID 139541071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).