(2S,3S)-2,3-diaminobutane-1,4-diol

C4H12N2O2 — CID 10943343

IUPAC(2S,3S)-2,3-diaminobutane-1,4-diol
SMILESN[C@H](CO)[C@H](N)CO
InChIInChI=1S/C4H12N2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2,5-6H2/t3-,4-/m1/s1
InChIKeyJOINEDRPUPHALH-QWWZWVQMSA-N
MW120.15 g/mol
LogP-2.37
Rot. Bonds3

About (2S,3S)-2,3-diaminobutane-1,4-diol

(2S,3S)-2,3-diaminobutane-1,4-diol (PubChem CID 10943343) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2S,3S)-2,3-diaminobutane-1,4-diol.

Molecular Properties

Compound Name(2S,3S)-2,3-diaminobutane-1,4-diol
PubChem CID10943343
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name(2S,3S)-2,3-diaminobutane-1,4-diol
SMILESN[C@H](CO)[C@H](N)CO
InChIInChI=1S/C4H12N2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2,5-6H2/t3-,4-/m1/s1
InChIKeyJOINEDRPUPHALH-QWWZWVQMSA-N
XLogP-2.37
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-diaminobutane-1,4-diol?
The IUPAC name of (2S,3S)-2,3-diaminobutane-1,4-diol (CID 10943343) is (2S,3S)-2,3-diaminobutane-1,4-diol.
What is the SMILES notation for (2S,3S)-2,3-diaminobutane-1,4-diol?
The canonical SMILES for (2S,3S)-2,3-diaminobutane-1,4-diol is N[C@H](CO)[C@H](N)CO.
What is the InChIKey of (2S,3S)-2,3-diaminobutane-1,4-diol?
The InChIKey is JOINEDRPUPHALH-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H12N2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2,5-6H2/t3-,4-/m1/s1.
What are the key properties of (2S,3S)-2,3-diaminobutane-1,4-diol?
(2S,3S)-2,3-diaminobutane-1,4-diol has a molecular weight of 120.15 g/mol, XLogP of -2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-diaminobutane-1,4-diol is sourced from PubChem (CID 10943343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).