1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate

C10H22N2O6 — CID 157191539

IUPAC1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate
SMILESCNC(=O)OC(C)CO.CNC(=O)OCC(C)O
InChIInChI=1S/2C5H11NO3/c1-4(7)3-9-5(8)6-2;1-4(3-7)9-5(8)6-2/h2*4,7H,3H2,1-2H3,(H,6,8)
InChIKeyAPTGRDOMPIRBQW-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.55
Rot. Bonds4

About 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate

1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate (PubChem CID 157191539) has the molecular formula C10H22N2O6 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate
PubChem CID157191539
Molecular FormulaC10H22N2O6
Molecular Weight266.29 g/mol
Exact Mass266.15
IUPAC Name1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate
SMILESCNC(=O)OC(C)CO.CNC(=O)OCC(C)O
InChIInChI=1S/2C5H11NO3/c1-4(7)3-9-5(8)6-2;1-4(3-7)9-5(8)6-2/h2*4,7H,3H2,1-2H3,(H,6,8)
InChIKeyAPTGRDOMPIRBQW-UHFFFAOYSA-N
XLogP-0.55
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928
tris(2-methoxyethyl N-methylcarbamate);1-methoxypropan-2-yl N-methylcarbamate
CID 157473394
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
pentan-2-yl N-methylcarbamate
CID 87800864
1-hydroxyethyl N-methylcarbamate
CID 21270273
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
2,5-dimethylhexyl N-methylcarbamate
CID 175403789
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008
1-hydroxypropan-2-yl 2-bromo-2-hydroxyacetate
CID 3023842
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate?
The IUPAC name of 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate (CID 157191539) is 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate.
What is the SMILES notation for 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate?
The canonical SMILES for 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate is CNC(=O)OC(C)CO.CNC(=O)OCC(C)O.
What is the InChIKey of 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate?
The InChIKey is APTGRDOMPIRBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO3/c1-4(7)3-9-5(8)6-2;1-4(3-7)9-5(8)6-2/h2*4,7H,3H2,1-2H3,(H,6,8).
What are the key properties of 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate?
1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate has a molecular weight of 266.29 g/mol, XLogP of -0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl N-methylcarbamate;2-hydroxypropyl N-methylcarbamate is sourced from PubChem (CID 157191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).