2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid

C11H21NO8 — CID 175782236

IUPAC2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid
SMILESCCOC(C(=O)O)C(OCC)C(=O)O.CNCC(=O)O
InChIInChI=1S/C8H14O6.C3H7NO2/c1-3-13-5(7(9)10)6(8(11)12)14-4-2;1-4-2-3(5)6/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);4H,2H2,1H3,(H,5,6)
InChIKeyJNUDUPUPLNVOAI-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.74
Rot. Bonds9

About 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid

2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid (PubChem CID 175782236) has the molecular formula C11H21NO8 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid.

Molecular Properties

Compound Name2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid
PubChem CID175782236
Molecular FormulaC11H21NO8
Molecular Weight295.29 g/mol
Exact Mass295.13
IUPAC Name2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid
SMILESCCOC(C(=O)O)C(OCC)C(=O)O.CNCC(=O)O
InChIInChI=1S/C8H14O6.C3H7NO2/c1-3-13-5(7(9)10)6(8(11)12)14-4-2;1-4-2-3(5)6/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);4H,2H2,1H3,(H,5,6)
InChIKeyJNUDUPUPLNVOAI-UHFFFAOYSA-N
XLogP-0.74
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
ethane;2-(methylamino)acetic acid;methyl formate
CID 144537769
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
dibutyltin;2,3-diethoxybutanedioic acid
CID 159171014
2,2-diethoxybutanedioic acid;2-(methylamino)acetic acid
CID 137371876
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
(2R)-2-ethoxybutanedioic acid
CID 101245963
sodium;dodecane;2-(methylamino)acetic acid
CID 174330341
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
2-ethoxypropanoic acid;methane
CID 160636954
carbonic acid;1,1-diethoxyethane
CID 87827362
lithium;2,2-diethoxyacetic acid;2-methylpropane
CID 158199649

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid?
The IUPAC name of 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid (CID 175782236) is 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid.
What is the SMILES notation for 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid?
The canonical SMILES for 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid is CCOC(C(=O)O)C(OCC)C(=O)O.CNCC(=O)O.
What is the InChIKey of 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid?
The InChIKey is JNUDUPUPLNVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6.C3H7NO2/c1-3-13-5(7(9)10)6(8(11)12)14-4-2;1-4-2-3(5)6/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);4H,2H2,1H3,(H,5,6).
What are the key properties of 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid?
2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid has a molecular weight of 295.29 g/mol, XLogP of -0.74, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid is sourced from PubChem (CID 175782236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).