ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane

C10H27N2O2P — CID 161235723

IUPACethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
SMILESC.C.CCOC(=O)C(C)NP(C)(C)=NC
InChIInChI=1S/C8H19N2O2P.2CH4/c1-6-12-8(11)7(2)10-13(4,5)9-3;;/h7,10H,6H2,1-5H3;2*1H4
InChIKeyUZINPRCEVAFKNO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.81
Rot. Bonds4

About ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane

ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane (PubChem CID 161235723) has the molecular formula C10H27N2O2P and a molecular weight of 238.31 g/mol. Its IUPAC name is ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane.

Molecular Properties

Compound Nameethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
PubChem CID161235723
Molecular FormulaC10H27N2O2P
Molecular Weight238.31 g/mol
Exact Mass238.18
IUPAC Nameethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
SMILESC.C.CCOC(=O)C(C)NP(C)(C)=NC
InChIInChI=1S/C8H19N2O2P.2CH4/c1-6-12-8(11)7(2)10-13(4,5)9-3;;/h7,10H,6H2,1-5H3;2*1H4
InChIKeyUZINPRCEVAFKNO-UHFFFAOYSA-N
XLogP2.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
CID 58445974
ethyl 2-(fluoroamino)propanoate
CID 89108988
ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate
CID 130324026
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 2-[[[(1-ethoxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]hexanoate
CID 59796220
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-nitramidopropanoate
CID 131858521
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl (2S)-2-[[(4-chlorophenoxy)-methylphosphoryl]amino]propanoate
CID 59483411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane?
The IUPAC name of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane (CID 161235723) is ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane.
What is the SMILES notation for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane?
The canonical SMILES for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane is C.C.CCOC(=O)C(C)NP(C)(C)=NC.
What is the InChIKey of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane?
The InChIKey is UZINPRCEVAFKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O2P.2CH4/c1-6-12-8(11)7(2)10-13(4,5)9-3;;/h7,10H,6H2,1-5H3;2*1H4.
What are the key properties of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane?
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane has a molecular weight of 238.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane is sourced from PubChem (CID 161235723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).