furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid

C10H13NO8 — CID 53249398

IUPACfuran-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESNc1ccco1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C4H5NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-4-2-1-3-6-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H,5H2
InChIKeyYQCULBGJCFTGRA-UHFFFAOYSA-N
MW275.21 g/mol
LogP-0.39
Rot. Bonds5

About furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid

furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 53249398) has the molecular formula C10H13NO8 and a molecular weight of 275.21 g/mol. Its IUPAC name is furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namefuran-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID53249398
Molecular FormulaC10H13NO8
Molecular Weight275.21 g/mol
Exact Mass275.06
IUPAC Namefuran-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESNc1ccco1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C4H5NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-4-2-1-3-6-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H,5H2
InChIKeyYQCULBGJCFTGRA-UHFFFAOYSA-N
XLogP-0.39
TPSA171.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 89401463
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
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CID 56836802

Frequently Asked Questions

What is the IUPAC name of furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 53249398) is furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid is Nc1ccco1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is YQCULBGJCFTGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H5NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-4-2-1-3-6-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H,5H2.
What are the key properties of furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid?
furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 275.21 g/mol, XLogP of -0.39, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 53249398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).