methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C21H26NO4P — CID 74072994

IUPACmethyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H26NO4P/c1-21(2,3)26-20(24)22-18(19(23)25-4)15-27(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3,(H,22,24)
InChIKeyIEENFDPQDXKSEI-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.19
Rot. Bonds6

About methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 74072994) has the molecular formula C21H26NO4P and a molecular weight of 387.42 g/mol. Its IUPAC name is methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID74072994
Molecular FormulaC21H26NO4P
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Namemethyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H26NO4P/c1-21(2,3)26-20(24)22-18(19(23)25-4)15-27(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3,(H,22,24)
InChIKeyIEENFDPQDXKSEI-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Carboxy-2-((methoxycarbonyl)amino)ethyl)triphenylphosphonium
CID 126075
methyl (2R)-3-bis(3,5-dimethylphenyl)phosphinothioyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134918785
N-((2-(Triphenylphosphoranyl)ethoxy)carbonyl)alanine
CID 498174
tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
CID 10738865
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylpropanoate
CID 11523310
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
CID 15145877
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
2-(1-Carboxyethylcarbamoyloxy)ethyl-triphenylphosphanium chloride
CID 22210411
methyl (2R)-3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 23630943
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylbutanoate
CID 72999342
methyl (2R)-3-benzylselanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102048645
methyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylpropanoyl]amino]acetate
CID 102048649

Frequently Asked Questions

What is the IUPAC name of methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 74072994) is methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(CP(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is IEENFDPQDXKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26NO4P/c1-21(2,3)26-20(24)22-18(19(23)25-4)15-27(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3,(H,22,24).
What are the key properties of methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 387.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-diphenylphosphanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 74072994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).