oxan-4-ylmethyl carbamate

C7H13NO3 — CID 134587773

IUPACoxan-4-ylmethyl carbamate
SMILESNC(=O)OCC1CCOCC1
InChIInChI=1S/C7H13NO3/c8-7(9)11-5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,8,9)
InChIKeyQVNYELSQZCOCIZ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.51
Rot. Bonds2

About oxan-4-ylmethyl carbamate

oxan-4-ylmethyl carbamate (PubChem CID 134587773) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is oxan-4-ylmethyl carbamate.

Molecular Properties

Compound Nameoxan-4-ylmethyl carbamate
PubChem CID134587773
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameoxan-4-ylmethyl carbamate
SMILESNC(=O)OCC1CCOCC1
InChIInChI=1S/C7H13NO3/c8-7(9)11-5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,8,9)
InChIKeyQVNYELSQZCOCIZ-UHFFFAOYSA-N
XLogP0.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
cis-oxan-4-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323850
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
2-amino-3-(oxan-4-ylmethoxy)propanamide
CID 62384328
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
oxan-4-ylmethyl 3-amino-2-methoxypropanoate
CID 106109501
(4-methylidenecyclohexyl)methyl carbamate
CID 90983619
oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309279
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl carbamate?
The IUPAC name of oxan-4-ylmethyl carbamate (CID 134587773) is oxan-4-ylmethyl carbamate.
What is the SMILES notation for oxan-4-ylmethyl carbamate?
The canonical SMILES for oxan-4-ylmethyl carbamate is NC(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl carbamate?
The InChIKey is QVNYELSQZCOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c8-7(9)11-5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,8,9).
What are the key properties of oxan-4-ylmethyl carbamate?
oxan-4-ylmethyl carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl carbamate is sourced from PubChem (CID 134587773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).