sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid

C10H20NNaO8 — CID 175211977

IUPACsodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCC(O)CN.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O7.C4H11NO.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4(6)3-5;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4,6H,2-3,5H2,1H3;;/q;;+1;-1
InChIKeyGTMSZYUQEJPTFW-UHFFFAOYSA-N
MW305.26 g/mol
LogP-4.42
Rot. Bonds7

About sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid

sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 175211977) has the molecular formula C10H20NNaO8 and a molecular weight of 305.26 g/mol. Its IUPAC name is sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namesodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID175211977
Molecular FormulaC10H20NNaO8
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC Namesodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCC(O)CN.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O7.C4H11NO.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4(6)3-5;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4,6H,2-3,5H2,1H3;;/q;;+1;-1
InChIKeyGTMSZYUQEJPTFW-UHFFFAOYSA-N
XLogP-4.42
TPSA178.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.26
LogP ≤ 5-4.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
CID 159368405
2-hydroxypropane-1,2,3-tricarboxylic acid;bis(tetraethylphosphanium)
CID 146567573
hexane-1,4-diol;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 87105289
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
CID 173238603
CID 173238603
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
calcium;trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);2-hydroxypropanoic acid
CID 174494255
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049

Frequently Asked Questions

What is the IUPAC name of sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 175211977) is sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid is CCC(O)CN.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is GTMSZYUQEJPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H11NO.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4(6)3-5;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4,6H,2-3,5H2,1H3;;/q;;+1;-1.
What are the key properties of sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 305.26 g/mol, XLogP of -4.42, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-aminobutan-2-ol;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 175211977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).