[4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid

C5H9NO5 — CID 152623149

IUPAC[4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid
SMILESO=C(O)NC1OCC(CO)O1
InChIInChI=1S/C5H9NO5/c7-1-3-2-10-5(11-3)6-4(8)9/h3,5-7H,1-2H2,(H,8,9)
InChIKeyZBYJLMOXIRHKTR-UHFFFAOYSA-N
MW163.13 g/mol
LogP-1.05
Rot. Bonds2

About [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid

[4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid (PubChem CID 152623149) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid
PubChem CID152623149
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name[4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid
SMILESO=C(O)NC1OCC(CO)O1
InChIInChI=1S/C5H9NO5/c7-1-3-2-10-5(11-3)6-4(8)9/h3,5-7H,1-2H2,(H,8,9)
InChIKeyZBYJLMOXIRHKTR-UHFFFAOYSA-N
XLogP-1.05
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid?
The IUPAC name of [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid (CID 152623149) is [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid?
The canonical SMILES for [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid is O=C(O)NC1OCC(CO)O1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid?
The InChIKey is ZBYJLMOXIRHKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c7-1-3-2-10-5(11-3)6-4(8)9/h3,5-7H,1-2H2,(H,8,9).
What are the key properties of [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid?
[4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid has a molecular weight of 163.13 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid is sourced from PubChem (CID 152623149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).