[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite

C9H19N2O3P — CID 91169161

IUPAC[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite
SMILESCCOP(OC)O[C@@H](C)CC1N=CCN1
InChIInChI=1S/C9H19N2O3P/c1-4-13-15(12-3)14-8(2)7-9-10-5-6-11-9/h5,8-9,11H,4,6-7H2,1-3H3/t8-,9?,15?/m0/s1
InChIKeyZMXRXNXHGKDVMP-GMSXMYEBSA-N
MW234.24 g/mol
LogP1.69
Rot. Bonds7

About [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite

[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite (PubChem CID 91169161) has the molecular formula C9H19N2O3P and a molecular weight of 234.24 g/mol. Its IUPAC name is [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite.

Molecular Properties

Compound Name[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite
PubChem CID91169161
Molecular FormulaC9H19N2O3P
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Name[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite
SMILESCCOP(OC)O[C@@H](C)CC1N=CCN1
InChIInChI=1S/C9H19N2O3P/c1-4-13-15(12-3)14-8(2)7-9-10-5-6-11-9/h5,8-9,11H,4,6-7H2,1-3H3/t8-,9?,15?/m0/s1
InChIKeyZMXRXNXHGKDVMP-GMSXMYEBSA-N
XLogP1.69
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite?
The IUPAC name of [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite (CID 91169161) is [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite.
What is the SMILES notation for [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite?
The canonical SMILES for [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite is CCOP(OC)O[C@@H](C)CC1N=CCN1.
What is the InChIKey of [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite?
The InChIKey is ZMXRXNXHGKDVMP-GMSXMYEBSA-N. The full InChI is InChI=1S/C9H19N2O3P/c1-4-13-15(12-3)14-8(2)7-9-10-5-6-11-9/h5,8-9,11H,4,6-7H2,1-3H3/t8-,9?,15?/m0/s1.
What are the key properties of [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite?
[(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite has a molecular weight of 234.24 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,5-dihydro-1H-imidazol-2-yl)propan-2-yl] ethyl methyl phosphite is sourced from PubChem (CID 91169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).