[4-(1-hydroxyethyl)oxan-4-yl]carbamic acid

C8H15NO4 — CID 70662666

IUPAC[4-(1-hydroxyethyl)oxan-4-yl]carbamic acid
SMILESCC(O)C1(NC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO4/c1-6(10)8(9-7(11)12)2-4-13-5-3-8/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyIDAMEWCIVYJFNG-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.18
Rot. Bonds2

About [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid

[4-(1-hydroxyethyl)oxan-4-yl]carbamic acid (PubChem CID 70662666) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)oxan-4-yl]carbamic acid
PubChem CID70662666
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[4-(1-hydroxyethyl)oxan-4-yl]carbamic acid
SMILESCC(O)C1(NC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO4/c1-6(10)8(9-7(11)12)2-4-13-5-3-8/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyIDAMEWCIVYJFNG-UHFFFAOYSA-N
XLogP0.18
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid?
The IUPAC name of [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid (CID 70662666) is [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid.
What is the SMILES notation for [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid?
The canonical SMILES for [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid is CC(O)C1(NC(=O)O)CCOCC1.
What is the InChIKey of [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid?
The InChIKey is IDAMEWCIVYJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(10)8(9-7(11)12)2-4-13-5-3-8/h6,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid?
[4-(1-hydroxyethyl)oxan-4-yl]carbamic acid has a molecular weight of 189.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)oxan-4-yl]carbamic acid is sourced from PubChem (CID 70662666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).