ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

C16H24NO7P — CID 11132476

IUPACethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C16H24NO7P/c1-4-21-15(18)14(25(20,23-5-2)24-6-3)17-16(19)22-12-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H,17,19)
InChIKeyOZBQRVNDIMNQBJ-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.07
Rot. Bonds10

About ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate (PubChem CID 11132476) has the molecular formula C16H24NO7P and a molecular weight of 373.34 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
PubChem CID11132476
Molecular FormulaC16H24NO7P
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC Nameethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
SMILESCCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C16H24NO7P/c1-4-21-15(18)14(25(20,23-5-2)24-6-3)17-16(19)22-12-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H,17,19)
InChIKeyOZBQRVNDIMNQBJ-UHFFFAOYSA-N
XLogP3.07
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
CID 23420220
benzyl N-(1-dimethoxyphosphoryl-2-oxobutyl)carbamate
CID 59913356
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
ethyl 2-(phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoate
CID 57360885
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
benzyl N-[1-[ethoxy(methyl)phosphoryl]-3-methylbutyl]carbamate
CID 10426575
benzyl N-[(R)-diethoxyphosphoryl-(4-nitrophenyl)methyl]carbamate
CID 101262306
benzyl N-[diethoxyphosphoryl-(3-methoxyphenyl)methyl]carbamate
CID 23420217
ethyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate
CID 7068918
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate (CID 11132476) is ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate is CCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is OZBQRVNDIMNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO7P/c1-4-21-15(18)14(25(20,23-5-2)24-6-3)17-16(19)22-12-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3,(H,17,19).
What are the key properties of ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate?
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 373.34 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 11132476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).