1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate

C7H13NO5 — CID 101466738

IUPAC1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)OCC1COCO1
InChIInChI=1S/C7H13NO5/c9-2-1-8-7(10)12-4-6-3-11-5-13-6/h6,9H,1-5H2,(H,8,10)
InChIKeyOUAOFKCKLFFYFK-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.92
Rot. Bonds4

About 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate

1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate (PubChem CID 101466738) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate
PubChem CID101466738
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)OCC1COCO1
InChIInChI=1S/C7H13NO5/c9-2-1-8-7(10)12-4-6-3-11-5-13-6/h6,9H,1-5H2,(H,8,10)
InChIKeyOUAOFKCKLFFYFK-UHFFFAOYSA-N
XLogP-0.92
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxypropyl N-(2-hydroxyethyl)carbamate
CID 52915445
(2-oxo-1,3-dioxolan-4-yl)methyl N-ethylcarbamate
CID 68719570
(2-oxo-1,3-dioxolan-4-yl)methyl N-(2-hydroxyethyl)carbamate
CID 70941581
(2-Oxo-1,3-dioxolan-4-yl)methylcarbamic acid
CID 118384856
[4-(Hydroxymethyl)-1,3-dioxolan-2-yl]carbamic acid
CID 152623149
propan-2-yl N-(1,3-dioxolan-4-yl)carbamate
CID 173075539
1,3-dioxan-5-yl N-(2-hydroxyethyl)carbamate
CID 101466737

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate (CID 101466738) is 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate is O=C(NCCO)OCC1COCO1.
What is the InChIKey of 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate?
The InChIKey is OUAOFKCKLFFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c9-2-1-8-7(10)12-4-6-3-11-5-13-6/h6,9H,1-5H2,(H,8,10).
What are the key properties of 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate?
1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate has a molecular weight of 191.18 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-ylmethyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 101466738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).