azane;2-hydroxypropane-1,2,3-tricarboxylic acid

C6H11NO7 — CID 6435836

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESN.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3
InChIKeyBWKOZPVPARTQIV-UHFFFAOYSA-N
MW209.15 g/mol
LogP-1.09
Rot. Bonds5

About azane;2-hydroxypropane-1,2,3-tricarboxylic acid

azane;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 6435836) has the molecular formula C6H11NO7 and a molecular weight of 209.15 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID6435836
Molecular FormulaC6H11NO7
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESN.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3
InChIKeyBWKOZPVPARTQIV-UHFFFAOYSA-N
XLogP-1.09
TPSA167.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 6435836) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid is N.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is BWKOZPVPARTQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3.
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 209.15 g/mol, XLogP of -1.09, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 6435836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).