(4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one

C9H19N2O5P — CID 10683153

IUPAC(4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCCOP(=O)(C[C@H]1[C@H](C)OC(=O)N1N)OCC
InChIInChI=1S/C9H19N2O5P/c1-4-14-17(13,15-5-2)6-8-7(3)16-9(12)11(8)10/h7-8H,4-6,10H2,1-3H3/t7-,8-/m0/s1
InChIKeyCTBZYYOSMJIOMT-YUMQZZPRSA-N
MW266.23 g/mol
LogP1.34
Rot. Bonds6

About (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one

(4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 10683153) has the molecular formula C9H19N2O5P and a molecular weight of 266.23 g/mol. Its IUPAC name is (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID10683153
Molecular FormulaC9H19N2O5P
Molecular Weight266.23 g/mol
Exact Mass266.10
IUPAC Name(4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCCOP(=O)(C[C@H]1[C@H](C)OC(=O)N1N)OCC
InChIInChI=1S/C9H19N2O5P/c1-4-14-17(13,15-5-2)6-8-7(3)16-9(12)11(8)10/h7-8H,4-6,10H2,1-3H3/t7-,8-/m0/s1
InChIKeyCTBZYYOSMJIOMT-YUMQZZPRSA-N
XLogP1.34
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
CID 145422347
1-(diethoxyphosphorylmethyl)-4-methylcyclohexane
CID 22976302
(5S)-4-ethoxy-5-methyl-3-methylideneoxolan-2-one
CID 143981955
(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine
CID 134998390
1-[(4R,5S)-5-(diethoxyphosphorylmethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90704057
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
ethyl 2-diethoxyphosphorylacetate
CID 10911236
1-[(2R,4R,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3009330
diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate
CID 131716302
ethyl (2S,4R)-4-(diethoxyphosphorylmethyl)piperidine-2-carboxylate
CID 54250756
(1S,5R,6R,8R)-9-(diethoxyphosphorylmethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 57342897
ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate
CID 132993013

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one (CID 10683153) is (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one is CCOP(=O)(C[C@H]1[C@H](C)OC(=O)N1N)OCC.
What is the InChIKey of (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is CTBZYYOSMJIOMT-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19N2O5P/c1-4-14-17(13,15-5-2)6-8-7(3)16-9(12)11(8)10/h7-8H,4-6,10H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one?
(4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 266.23 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-amino-4-(diethoxyphosphorylmethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10683153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).