2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid

C12H27NO8P2 — CID 134831128

IUPAC2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid
SMILESCCOP(=O)(OCC)C(CNCC(=O)O)P(=O)(OCC)OCC
InChIInChI=1S/C12H27NO8P2/c1-5-18-22(16,19-6-2)12(10-13-9-11(14)15)23(17,20-7-3)21-8-4/h12-13H,5-10H2,1-4H3,(H,14,15)
InChIKeyIDCLKIIFJXTHAQ-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.52
Rot. Bonds14

About 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid

2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid (PubChem CID 134831128) has the molecular formula C12H27NO8P2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid
PubChem CID134831128
Molecular FormulaC12H27NO8P2
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid
SMILESCCOP(=O)(OCC)C(CNCC(=O)O)P(=O)(OCC)OCC
InChIInChI=1S/C12H27NO8P2/c1-5-18-22(16,19-6-2)12(10-13-9-11(14)15)23(17,20-7-3)21-8-4/h12-13H,5-10H2,1-4H3,(H,14,15)
InChIKeyIDCLKIIFJXTHAQ-UHFFFAOYSA-N
XLogP2.52
TPSA120.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
3-diethoxyphosphoryl-4-oxobutanoic acid
CID 175777470
4-diethoxyphosphoryl-5-hydroxypentanoic acid
CID 175815296
2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid
CID 57152304
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid
CID 175208763
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
2-amino-4,4-bis(diethoxyphosphoryl)butanamide
CID 134929357
N-butyl-3,3-bis(diethoxyphosphoryl)propanamide
CID 19689044
10-[2,2-bis(diethoxyphosphoryl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 87791716
3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
CID 51350832

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid?
The IUPAC name of 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid (CID 134831128) is 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid?
The canonical SMILES for 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid is CCOP(=O)(OCC)C(CNCC(=O)O)P(=O)(OCC)OCC.
What is the InChIKey of 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid?
The InChIKey is IDCLKIIFJXTHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO8P2/c1-5-18-22(16,19-6-2)12(10-13-9-11(14)15)23(17,20-7-3)21-8-4/h12-13H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid?
2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid has a molecular weight of 375.30 g/mol, XLogP of 2.52, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid is sourced from PubChem (CID 134831128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).