bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine

C10H20N2O12 — CID 133126863

IUPACbis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
SMILESNCCN.O=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/2C4H6O6.C2H8N2/c2*5-1(3(7)8)2(6)4(9)10;3-1-2-4/h2*1-2,5-6H,(H,7,8)(H,9,10);1-4H2/t2*1-,2-;/m00./s1
InChIKeyRWISDUHFHDEVCZ-TYNZFUTISA-N
MW360.27 g/mol
LogP-5.34
Rot. Bonds7

About bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine

bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine (PubChem CID 133126863) has the molecular formula C10H20N2O12 and a molecular weight of 360.27 g/mol. Its IUPAC name is bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine.

Molecular Properties

Compound Namebis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
PubChem CID133126863
Molecular FormulaC10H20N2O12
Molecular Weight360.27 g/mol
Exact Mass360.10
IUPAC Namebis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
SMILESNCCN.O=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChIInChI=1S/2C4H6O6.C2H8N2/c2*5-1(3(7)8)2(6)4(9)10;3-1-2-4/h2*1-2,5-6H,(H,7,8)(H,9,10);1-4H2/t2*1-,2-;/m00./s1
InChIKeyRWISDUHFHDEVCZ-TYNZFUTISA-N
XLogP-5.34
TPSA282.16 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.27
LogP ≤ 5-5.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
CID 57365622
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764

Frequently Asked Questions

What is the IUPAC name of bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine?
The IUPAC name of bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine (CID 133126863) is bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine.
What is the SMILES notation for bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine?
The canonical SMILES for bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine is NCCN.O=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@@H](O)[C@H](O)C(=O)O.
What is the InChIKey of bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine?
The InChIKey is RWISDUHFHDEVCZ-TYNZFUTISA-N. The full InChI is InChI=1S/2C4H6O6.C2H8N2/c2*5-1(3(7)8)2(6)4(9)10;3-1-2-4/h2*1-2,5-6H,(H,7,8)(H,9,10);1-4H2/t2*1-,2-;/m00./s1.
What are the key properties of bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine?
bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine has a molecular weight of 360.27 g/mol, XLogP of -5.34, 7 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine is sourced from PubChem (CID 133126863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).