[4-(2-hydroxyethyl)oxan-4-yl]carbamic acid

C8H15NO4 — CID 70662667

IUPAC[4-(2-hydroxyethyl)oxan-4-yl]carbamic acid
SMILESO=C(O)NC1(CCO)CCOCC1
InChIInChI=1S/C8H15NO4/c10-4-1-8(9-7(11)12)2-5-13-6-3-8/h9-10H,1-6H2,(H,11,12)
InChIKeyULFICCHDGRYNAF-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.19
Rot. Bonds3

About [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid

[4-(2-hydroxyethyl)oxan-4-yl]carbamic acid (PubChem CID 70662667) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)oxan-4-yl]carbamic acid
PubChem CID70662667
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[4-(2-hydroxyethyl)oxan-4-yl]carbamic acid
SMILESO=C(O)NC1(CCO)CCOCC1
InChIInChI=1S/C8H15NO4/c10-4-1-8(9-7(11)12)2-5-13-6-3-8/h9-10H,1-6H2,(H,11,12)
InChIKeyULFICCHDGRYNAF-UHFFFAOYSA-N
XLogP0.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid?
The IUPAC name of [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid (CID 70662667) is [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid.
What is the SMILES notation for [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid?
The canonical SMILES for [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid is O=C(O)NC1(CCO)CCOCC1.
What is the InChIKey of [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid?
The InChIKey is ULFICCHDGRYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-1-8(9-7(11)12)2-5-13-6-3-8/h9-10H,1-6H2,(H,11,12).
What are the key properties of [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid?
[4-(2-hydroxyethyl)oxan-4-yl]carbamic acid has a molecular weight of 189.21 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 [4-(2-hydroxyethyl)oxan-4-yl]carbamic acid is sourced from PubChem (CID 70662667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).