ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate

C12H24NO5P — CID 154993825

IUPACethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate
SMILESCCOC(=O)[C@H](CCP(C)(=O)OCC)CNC(C)=O
InChIInChI=1S/C12H24NO5P/c1-5-17-12(15)11(9-13-10(3)14)7-8-19(4,16)18-6-2/h11H,5-9H2,1-4H3,(H,13,14)/t11-,19?/m1/s1
InChIKeyQROKMVRGMUNLAW-AMIJKRQISA-N
MW293.30 g/mol
LogP1.64
Rot. Bonds9

About ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate

ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate (PubChem CID 154993825) has the molecular formula C12H24NO5P and a molecular weight of 293.30 g/mol. Its IUPAC name is ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate
PubChem CID154993825
Molecular FormulaC12H24NO5P
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Nameethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate
SMILESCCOC(=O)[C@H](CCP(C)(=O)OCC)CNC(C)=O
InChIInChI=1S/C12H24NO5P/c1-5-17-12(15)11(9-13-10(3)14)7-8-19(4,16)18-6-2/h11H,5-9H2,1-4H3,(H,13,14)/t11-,19?/m1/s1
InChIKeyQROKMVRGMUNLAW-AMIJKRQISA-N
XLogP1.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
acetamidomethyl(ethoxy)phosphinic acid
CID 14132628
ethene;ethyl 2-propylpentanoate
CID 160741230
ethyl 2-(methylaminomethyl)butanoate
CID 23272258
ethyl (2S)-2-diethoxyphosphoryl-3-oxobutanoate
CID 98182463
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
[(2S)-1-ethoxy-1-oxopropan-2-yl] 3-oxobutanoate
CID 12529181
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 2-(diethoxyphosphorylmethyl)-4-oxohexanoate
CID 132563183
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate?
The IUPAC name of ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate (CID 154993825) is ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate.
What is the SMILES notation for ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate?
The canonical SMILES for ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate is CCOC(=O)[C@H](CCP(C)(=O)OCC)CNC(C)=O.
What is the InChIKey of ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate?
The InChIKey is QROKMVRGMUNLAW-AMIJKRQISA-N. The full InChI is InChI=1S/C12H24NO5P/c1-5-17-12(15)11(9-13-10(3)14)7-8-19(4,16)18-6-2/h11H,5-9H2,1-4H3,(H,13,14)/t11-,19?/m1/s1.
What are the key properties of ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate?
ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate has a molecular weight of 293.30 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(acetamidomethyl)-4-[ethoxy(methyl)phosphoryl]butanoate is sourced from PubChem (CID 154993825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).