[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate

C8H15N3O7 — CID 23571865

IUPAC[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate
SMILESNC(=O)OCC(CO)(COC(N)=O)COC(N)=O
InChIInChI=1S/C8H15N3O7/c9-5(13)16-2-8(1-12,3-17-6(10)14)4-18-7(11)15/h12H,1-4H2,(H2,9,13)(H2,10,14)(H2,11,15)
InChIKeyRZILDDAOKNNMTI-UHFFFAOYSA-N
MW265.22 g/mol
LogP-1.75
Rot. Bonds7

About [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate

[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate (PubChem CID 23571865) has the molecular formula C8H15N3O7 and a molecular weight of 265.22 g/mol. Its IUPAC name is [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate.

Molecular Properties

Compound Name[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate
PubChem CID23571865
Molecular FormulaC8H15N3O7
Molecular Weight265.22 g/mol
Exact Mass265.09
IUPAC Name[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate
SMILESNC(=O)OCC(CO)(COC(N)=O)COC(N)=O
InChIInChI=1S/C8H15N3O7/c9-5(13)16-2-8(1-12,3-17-6(10)14)4-18-7(11)15/h12H,1-4H2,(H2,9,13)(H2,10,14)(H2,11,15)
InChIKeyRZILDDAOKNNMTI-UHFFFAOYSA-N
XLogP-1.75
TPSA177.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)-3-(2-sulfanylacetyl)oxy-2-[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate;[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate
CID 159388284
carbamic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 174825225
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
[2-[[3-acetyloxy-2,2-bis(acetyloxymethyl)propoxy]methyl]-2-(acetyloxymethyl)-3-hydroxypropyl] acetate
CID 53423506
4-[2-(3-carboxyprop-2-enoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxobut-2-enoic acid
CID 54510502
[2-(hydroxymethyl)-3-(2-sulfanylacetyl)oxy-2-[[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propoxy]methyl]propyl] 2-sulfanylacetate
CID 140560376
2,2-bis(hydroxymethyl)propane-1,3-diol;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] propanoate
CID 160951449
[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate
CID 154076634
[2,2-bis(docosanoyloxymethyl)-3-hydroxypropyl] docosanoate
CID 6452029
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-tris(sulfanyl)propanoate
CID 54558149
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-sulfanylbutanoate
CID 155664820
[2-(hydroxymethyl)-4-methyl-2-(2-methylprop-2-enyl)pent-4-enyl] acetate
CID 177417349

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate?
The IUPAC name of [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate (CID 23571865) is [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate.
What is the SMILES notation for [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate?
The canonical SMILES for [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate is NC(=O)OCC(CO)(COC(N)=O)COC(N)=O.
What is the InChIKey of [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate?
The InChIKey is RZILDDAOKNNMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O7/c9-5(13)16-2-8(1-12,3-17-6(10)14)4-18-7(11)15/h12H,1-4H2,(H2,9,13)(H2,10,14)(H2,11,15).
What are the key properties of [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate?
[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate has a molecular weight of 265.22 g/mol, XLogP of -1.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate is sourced from PubChem (CID 23571865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).