azane;(2R,3S)-2,3-dihydroxybutanedioic acid

C4H9NO6 — CID 175972290

IUPACazane;(2R,3S)-2,3-dihydroxybutanedioic acid
SMILESN.O=C(O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3/t1-,2+;
InChIKeyZMFVLYPTTFPBNG-NUGIMEKKSA-N
MW167.12 g/mol
LogP-1.96
Rot. Bonds3

About azane;(2R,3S)-2,3-dihydroxybutanedioic acid

azane;(2R,3S)-2,3-dihydroxybutanedioic acid (PubChem CID 175972290) has the molecular formula C4H9NO6 and a molecular weight of 167.12 g/mol. Its IUPAC name is azane;(2R,3S)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Nameazane;(2R,3S)-2,3-dihydroxybutanedioic acid
PubChem CID175972290
Molecular FormulaC4H9NO6
Molecular Weight167.12 g/mol
Exact Mass167.04
IUPAC Nameazane;(2R,3S)-2,3-dihydroxybutanedioic acid
SMILESN.O=C(O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3/t1-,2+;
InChIKeyZMFVLYPTTFPBNG-NUGIMEKKSA-N
XLogP-1.96
TPSA150.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733
potassium;azane;2,3-dihydroxybutanedioic acid;erbium;hydride;octahydrochloride
CID 174742657

Frequently Asked Questions

What is the IUPAC name of azane;(2R,3S)-2,3-dihydroxybutanedioic acid?
The IUPAC name of azane;(2R,3S)-2,3-dihydroxybutanedioic acid (CID 175972290) is azane;(2R,3S)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for azane;(2R,3S)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for azane;(2R,3S)-2,3-dihydroxybutanedioic acid is N.O=C(O)[C@@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of azane;(2R,3S)-2,3-dihydroxybutanedioic acid?
The InChIKey is ZMFVLYPTTFPBNG-NUGIMEKKSA-N. The full InChI is InChI=1S/C4H6O6.H3N/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H3/t1-,2+;.
What are the key properties of azane;(2R,3S)-2,3-dihydroxybutanedioic acid?
azane;(2R,3S)-2,3-dihydroxybutanedioic acid has a molecular weight of 167.12 g/mol, XLogP of -1.96, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R,3S)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 175972290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).