2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine

C12H23NO9 — CID 87299512

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
SMILESCOC(C)NC(C)OC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H15NO2.C6H8O7/c1-5(8-3)7-6(2)9-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7H,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyWONRCDDQMMPOSC-UHFFFAOYSA-N
MW325.31 g/mol
LogP-0.69
Rot. Bonds9

About 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine

2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine (PubChem CID 87299512) has the molecular formula C12H23NO9 and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
PubChem CID87299512
Molecular FormulaC12H23NO9
Molecular Weight325.31 g/mol
Exact Mass325.14
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
SMILESCOC(C)NC(C)OC.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H15NO2.C6H8O7/c1-5(8-3)7-6(2)9-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7H,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyWONRCDDQMMPOSC-UHFFFAOYSA-N
XLogP-0.69
TPSA162.62 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
CID 173051578
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;oxovanadium
CID 174576062
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173155699
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 173004565
CID 173004565
CID 24997986
CID 24997986

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine (CID 87299512) is 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine is COC(C)NC(C)OC.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
The InChIKey is WONRCDDQMMPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C6H8O7/c1-5(8-3)7-6(2)9-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7H,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine has a molecular weight of 325.31 g/mol, XLogP of -0.69, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methoxy-N-(1-methoxyethyl)ethanamine is sourced from PubChem (CID 87299512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).