[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid

C9H15NO4 — CID 174158146

IUPAC[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid
SMILESO=C(O)NCC12CC(CO)(CCO1)C2
InChIInChI=1S/C9H15NO4/c11-6-8-1-2-14-9(3-8,4-8)5-10-7(12)13/h10-11H,1-6H2,(H,12,13)
InChIKeyLVJPWJADDCPXRA-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.19
Rot. Bonds3

About [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid

[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid (PubChem CID 174158146) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid
PubChem CID174158146
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid
SMILESO=C(O)NCC12CC(CO)(CCO1)C2
InChIInChI=1S/C9H15NO4/c11-6-8-1-2-14-9(3-8,4-8)5-10-7(12)13/h10-11H,1-6H2,(H,12,13)
InChIKeyLVJPWJADDCPXRA-UHFFFAOYSA-N
XLogP0.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777
[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
CID 67549106
(4-propylpiperidin-4-yl)methylcarbamic acid
CID 118239545
(4-ethyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol
CID 138039578
ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
CID 110292759
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
CID 174223727
N-[2-[(1,4-dioxaspiro[4.4]nonane-9-carbonylamino)methyl]butyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
CID 166200762
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
ethyl N-[(2-silyloxan-2-yl)methyl]carbamate
CID 175525267

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid?
The IUPAC name of [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid (CID 174158146) is [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid.
What is the SMILES notation for [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid?
The canonical SMILES for [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid is O=C(O)NCC12CC(CO)(CCO1)C2.
What is the InChIKey of [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid?
The InChIKey is LVJPWJADDCPXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-6-8-1-2-14-9(3-8,4-8)5-10-7(12)13/h10-11H,1-6H2,(H,12,13).
What are the key properties of [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid?
[5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid has a molecular weight of 201.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methylcarbamic acid is sourced from PubChem (CID 174158146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).