2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide

C8H16N2O6 — CID 590477

IUPAC2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide
SMILESO=C(NCCO)C(O)C(O)C(=O)NCCO
InChIInChI=1S/C8H16N2O6/c11-3-1-9-7(15)5(13)6(14)8(16)10-2-4-12/h5-6,11-14H,1-4H2,(H,9,15)(H,10,16)
InChIKeyRQQWYAQGRARVOV-UHFFFAOYSA-N
MW236.22 g/mol
LogP-4.07
Rot. Bonds7

About 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide

2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide (PubChem CID 590477) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide
PubChem CID590477
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide
SMILESO=C(NCCO)C(O)C(O)C(=O)NCCO
InChIInChI=1S/C8H16N2O6/c11-3-1-9-7(15)5(13)6(14)8(16)10-2-4-12/h5-6,11-14H,1-4H2,(H,9,15)(H,10,16)
InChIKeyRQQWYAQGRARVOV-UHFFFAOYSA-N
XLogP-4.07
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.22
LogP ≤ 5-4.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide?
The IUPAC name of 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide (CID 590477) is 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide is O=C(NCCO)C(O)C(O)C(=O)NCCO.
What is the InChIKey of 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide?
The InChIKey is RQQWYAQGRARVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6/c11-3-1-9-7(15)5(13)6(14)8(16)10-2-4-12/h5-6,11-14H,1-4H2,(H,9,15)(H,10,16).
What are the key properties of 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide?
2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide has a molecular weight of 236.22 g/mol, XLogP of -4.07, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N,N'-bis(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 590477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).