ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate

C8H18NO8P — CID 163082500

IUPACethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate
SMILESCCOC(=O)NCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C8H18NO8P/c1-2-15-8(12)9-3-4-16-18(13,14)17-6-7(11)5-10/h7,10-11H,2-6H2,1H3,(H,9,12)(H,13,14)
InChIKeyHFDKDPCCICZZPW-UHFFFAOYSA-N
MW287.21 g/mol
LogP-0.78
Rot. Bonds9

About ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate

ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate (PubChem CID 163082500) has the molecular formula C8H18NO8P and a molecular weight of 287.21 g/mol. Its IUPAC name is ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate
PubChem CID163082500
Molecular FormulaC8H18NO8P
Molecular Weight287.21 g/mol
Exact Mass287.08
IUPAC Nameethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate
SMILESCCOC(=O)NCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C8H18NO8P/c1-2-15-8(12)9-3-4-16-18(13,14)17-6-7(11)5-10/h7,10-11H,2-6H2,1H3,(H,9,12)(H,13,14)
InChIKeyHFDKDPCCICZZPW-UHFFFAOYSA-N
XLogP-0.78
TPSA134.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl]carbamate
CID 139583363
2-(decanoylamino)ethyl 2,3-dihydroxypropyl hydrogen phosphate
CID 10215711
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851
2,3-dihydroxypropyl 16-methylheptadecyl hydrogen phosphate
CID 87276102
2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate
CID 144571535
[3-[2-acetamidoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
CID 165289104
[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] acetate
CID 165259213
[3-[2-acetamidoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexanoate
CID 165240751
3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropyl tetradecanoate
CID 130351819
[3-[2-acetamidoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tetradecanoate
CID 165206415

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
The IUPAC name of ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate (CID 163082500) is ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
The canonical SMILES for ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate is CCOC(=O)NCCOP(=O)(O)OCC(O)CO.
What is the InChIKey of ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
The InChIKey is HFDKDPCCICZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO8P/c1-2-15-8(12)9-3-4-16-18(13,14)17-6-7(11)5-10/h7,10-11H,2-6H2,1H3,(H,9,12)(H,13,14).
What are the key properties of ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate has a molecular weight of 287.21 g/mol, XLogP of -0.78, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl]carbamate is sourced from PubChem (CID 163082500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).