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

C8H16ClNO9 — CID 173355303

IUPACacetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
SMILESCC(=O)O.Cl.N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H4O2.ClH.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);1H;1H3
InChIKeyFVTMDKARTSZPTR-UHFFFAOYSA-N
MW305.67 g/mol
LogP-0.57
Rot. Bonds5

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

acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride (PubChem CID 173355303) has the molecular formula C8H16ClNO9 and a molecular weight of 305.67 g/mol. Its IUPAC name is acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride.

Molecular Properties

Compound Nameacetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
PubChem CID173355303
Molecular FormulaC8H16ClNO9
Molecular Weight305.67 g/mol
Exact Mass305.05
IUPAC Nameacetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
SMILESCC(=O)O.Cl.N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H4O2.ClH.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);1H;1H3
InChIKeyFVTMDKARTSZPTR-UHFFFAOYSA-N
XLogP-0.57
TPSA204.43 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.67
LogP ≤ 5-0.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;λ2-plumbane
CID 173011758
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propanedioic acid
CID 162128666
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanethioic S-acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174953632
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
CID 86661525
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;oxovanadium
CID 174576062
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
The IUPAC name of acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride (CID 173355303) is acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride.
What is the SMILES notation for acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
The canonical SMILES for acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride is CC(=O)O.Cl.N.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
The InChIKey is FVTMDKARTSZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C2H4O2.ClH.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);1H;1H3.
What are the key properties of acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride has a molecular weight of 305.67 g/mol, XLogP of -0.57, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride is sourced from PubChem (CID 173355303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).