(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

C9H15NO10 — CID 162063956

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESN[C@@H](CO)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C3H7NO3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-2(1-5)3(6)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyZAFAMUWGVOFHKQ-WNQIDUERSA-N
MW297.22 g/mol
LogP-2.86
Rot. Bonds7

About (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 162063956) has the molecular formula C9H15NO10 and a molecular weight of 297.22 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID162063956
Molecular FormulaC9H15NO10
Molecular Weight297.22 g/mol
Exact Mass297.07
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESN[C@@H](CO)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C3H7NO3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-2(1-5)3(6)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyZAFAMUWGVOFHKQ-WNQIDUERSA-N
XLogP-2.86
TPSA215.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.22
LogP ≤ 5-2.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-aminobutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 86749178
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride
CID 174525270
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 157089134
CID 157089134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 162063956) is (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is N[C@@H](CO)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is ZAFAMUWGVOFHKQ-WNQIDUERSA-N. The full InChI is InChI=1S/C6H8O7.C3H7NO3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-2(1-5)3(6)7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 297.22 g/mol, XLogP of -2.86, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 162063956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).