[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate

C10H20ClN2O6P — CID 175065435

IUPAC[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate
SMILESCCOP(=O)(OCC)C(C)NC(=O)[C@H](CCl)OC(N)=O
InChIInChI=1S/C10H20ClN2O6P/c1-4-17-20(16,18-5-2)7(3)13-9(14)8(6-11)19-10(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,14)/t7?,8-/m0/s1
InChIKeyXLJOEMCWKLXOCX-MQWKRIRWSA-N
MW330.71 g/mol
LogP1.42
Rot. Bonds9

About [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate

[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate (PubChem CID 175065435) has the molecular formula C10H20ClN2O6P and a molecular weight of 330.71 g/mol. Its IUPAC name is [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate
PubChem CID175065435
Molecular FormulaC10H20ClN2O6P
Molecular Weight330.71 g/mol
Exact Mass330.07
IUPAC Name[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate
SMILESCCOP(=O)(OCC)C(C)NC(=O)[C@H](CCl)OC(N)=O
InChIInChI=1S/C10H20ClN2O6P/c1-4-17-20(16,18-5-2)7(3)13-9(14)8(6-11)19-10(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,14)/t7?,8-/m0/s1
InChIKeyXLJOEMCWKLXOCX-MQWKRIRWSA-N
XLogP1.42
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.71
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl] carbamate
CID 175067456
N-(1-diethoxyphosphorylethyl)-2-methylpropanamide
CID 118391289
2-diethoxyphosphoryl-2-(methylcarbamoylamino)acetamide
CID 3706714
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
CID 2317807
2-diethoxyphosphoryl-4-methyl-N-[(3S)-4-methylpent-1-yn-3-yl]pentanamide
CID 162739005
(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
CID 131858581
[(1R,2S)-1-chloro-1-diethoxyphosphorylpropan-2-yl] 2-chloroacetate
CID 11426764
(2,2-dichloro-1-diethoxyphosphorylethyl) acetate
CID 23418041
1-diethoxyphosphorylethanamine
CID 5149858
2-methylpropanamide;triethyl phosphate
CID 155316510
1-diethoxyphosphoryl-3-methylbutan-1-amine;oxalic acid
CID 12635018
methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate (CID 175065435) is [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate is CCOP(=O)(OCC)C(C)NC(=O)[C@H](CCl)OC(N)=O.
What is the InChIKey of [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate?
The InChIKey is XLJOEMCWKLXOCX-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20ClN2O6P/c1-4-17-20(16,18-5-2)7(3)13-9(14)8(6-11)19-10(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,14)/t7?,8-/m0/s1.
What are the key properties of [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate?
[(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate has a molecular weight of 330.71 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-chloro-1-(1-diethoxyphosphorylethylamino)-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175065435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).