N-Hydroxyurethane
C₃H₇NO₃·105.090 g/mol·CID 11510
IUPAC: ethyl N-hydroxycarbamate
Also known as: 589-41-3, Ethyl N-hydroxycarbamate, Hydroxyurethane, Hydroxycarbamic acid ethyl ester, N-Carbethoxyhydroxylamine (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
105.090g/mol
Exact Mass
105.042593Da
Monoisotopic Mass
105.042593Da
XLogP
-0.2
Polar Surface Area
58.6Ų
Complexity
63
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
7
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 105.1 g/mol
MW ≤ 500
✓ -0.2
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH312Harmful in contact with skinH315Causes skin irritationH319Causes serious eye irritationH332Harmful if inhaledH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₃H₇NO₃
(2S)-2-amino-3-hydroxypropanoic acid
CID 5951 · 105.1 g/mol
(2R)-2-amino-3-hydroxypropanoic acid
CID 71077 · 105.1 g/mol
2-amino-3-hydroxypropanoic acid
CID 617 · 105.1 g/mol
2-hydroxyethyl carbamate
CID 21492 · 105.1 g/mol
propyl nitrate
CID 12307 · 105.1 g/mol
(2R)-2-azaniumyl-3-hydroxypropanoate
CID 6857549 · 105.1 g/mol
(2S)-2-azaniumyl-3-hydroxypropanoate
CID 6857581 · 105.1 g/mol
propan-2-yl nitrate
CID 15575 · 105.1 g/mol