2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane

C10H24NO6P — CID 158024033

IUPAC2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane
SMILESC.C.CN=P(C)(OC(C)C(=O)O)OC(C)C(=O)O
InChIInChI=1S/C8H16NO6P.2CH4/c1-5(7(10)11)14-16(4,9-3)15-6(2)8(12)13;;/h5-6H,1-4H3,(H,10,11)(H,12,13);2*1H4
InChIKeyFGKAGLZBFNRJHC-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.53
Rot. Bonds6

About 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane

2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane (PubChem CID 158024033) has the molecular formula C10H24NO6P and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane.

Molecular Properties

Compound Name2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane
PubChem CID158024033
Molecular FormulaC10H24NO6P
Molecular Weight285.28 g/mol
Exact Mass285.13
IUPAC Name2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane
SMILESC.C.CN=P(C)(OC(C)C(=O)O)OC(C)C(=O)O
InChIInChI=1S/C8H16NO6P.2CH4/c1-5(7(10)11)14-16(4,9-3)15-6(2)8(12)13;;/h5-6H,1-4H3,(H,10,11)(H,12,13);2*1H4
InChIKeyFGKAGLZBFNRJHC-UHFFFAOYSA-N
XLogP2.53
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;hydride;2-phosphonooxypropanoic acid
CID 174241121
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid
CID 59622912
2-[1-carboxyethoxy(1-hydroxypropan-2-yloxy)phosphoryl]oxypropanoic acid
CID 165361288
2-ethoxypropanoic acid;methane
CID 160636954
2-methoxypropanoic acid;titanium
CID 175177225
2-methoxypropanoic acid;zirconium
CID 174567743
2-methylpropanoic acid;ruthenium
CID 88674751
2-methylperoxypropanoic acid
CID 151920792
(2S)-2-acetyloxypropanoic acid
CID 6326324
2-(1-phosphonoethoxy)propanoic acid
CID 146452583
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane?
The IUPAC name of 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane (CID 158024033) is 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane.
What is the SMILES notation for 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane?
The canonical SMILES for 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane is C.C.CN=P(C)(OC(C)C(=O)O)OC(C)C(=O)O.
What is the InChIKey of 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane?
The InChIKey is FGKAGLZBFNRJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO6P.2CH4/c1-5(7(10)11)14-16(4,9-3)15-6(2)8(12)13;;/h5-6H,1-4H3,(H,10,11)(H,12,13);2*1H4.
What are the key properties of 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane?
2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane has a molecular weight of 285.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxyethoxy-methyl-methylimino-λ5-phosphanyl)oxypropanoic acid;methane is sourced from PubChem (CID 158024033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).