[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid

C8H15NO4 — CID 174218773

IUPAC[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1(CO)CCOCC1
InChIInChI=1S/C8H15NO4/c1-9(7(11)12)8(6-10)2-4-13-5-3-8/h10H,2-6H2,1H3,(H,11,12)
InChIKeyMIYZLIRMFCDLFQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.14
Rot. Bonds2

About [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid

[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid (PubChem CID 174218773) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid
PubChem CID174218773
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1(CO)CCOCC1
InChIInChI=1S/C8H15NO4/c1-9(7(11)12)8(6-10)2-4-13-5-3-8/h10H,2-6H2,1H3,(H,11,12)
InChIKeyMIYZLIRMFCDLFQ-UHFFFAOYSA-N
XLogP0.14
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid?
The IUPAC name of [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid (CID 174218773) is [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid?
The canonical SMILES for [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid is CN(C(=O)O)C1(CO)CCOCC1.
What is the InChIKey of [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid?
The InChIKey is MIYZLIRMFCDLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9(7(11)12)8(6-10)2-4-13-5-3-8/h10H,2-6H2,1H3,(H,11,12).
What are the key properties of [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid?
[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid has a molecular weight of 189.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid is sourced from PubChem (CID 174218773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).