phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate

C5H11NO4P2 — CID 59391458

IUPACphosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate
SMILESCN(CC(=O)OP)CC(=O)OP
InChIInChI=1S/C5H11NO4P2/c1-6(2-4(7)9-11)3-5(8)10-12/h2-3,11-12H2,1H3
InChIKeyMEYXAVAEVKAWCG-UHFFFAOYSA-N
MW211.09 g/mol
LogP-0.42
Rot. Bonds4

About phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate

phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate (PubChem CID 59391458) has the molecular formula C5H11NO4P2 and a molecular weight of 211.09 g/mol. Its IUPAC name is phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate.

Molecular Properties

Compound Namephosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate
PubChem CID59391458
Molecular FormulaC5H11NO4P2
Molecular Weight211.09 g/mol
Exact Mass211.02
IUPAC Namephosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate
SMILESCN(CC(=O)OP)CC(=O)OP
InChIInChI=1S/C5H11NO4P2/c1-6(2-4(7)9-11)3-5(8)10-12/h2-3,11-12H2,1H3
InChIKeyMEYXAVAEVKAWCG-UHFFFAOYSA-N
XLogP-0.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(carboxymethoxy)-2-oxoethyl]-methylamino]acetic acid
CID 10307945
phosphanyl 2-hydroxyacetate
CID 58716328
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
CID 88765663
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid
CID 89339466
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
CID 60673152
N-methylmethanamine;phosphanyl 2-[[amino(dimethylamino)methylidene]amino]acetate
CID 162006564
pentadecan-8-yl 2-[methyl-(2-oxo-2-pentadecan-8-yloxyethyl)amino]acetate
CID 170298047
iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate
CID 139316007

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate?
The IUPAC name of phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate (CID 59391458) is phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate.
What is the SMILES notation for phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate?
The canonical SMILES for phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate is CN(CC(=O)OP)CC(=O)OP.
What is the InChIKey of phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate?
The InChIKey is MEYXAVAEVKAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4P2/c1-6(2-4(7)9-11)3-5(8)10-12/h2-3,11-12H2,1H3.
What are the key properties of phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate?
phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate has a molecular weight of 211.09 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-[methyl-(2-oxo-2-phosphanyloxyethyl)amino]acetate is sourced from PubChem (CID 59391458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).