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

C4H12N2O2 — CID 11789191

IUPAC(2S,3S)-1,4-diaminobutane-2,3-diol
SMILESNC[C@H](O)[C@@H](O)CN
InChIInChI=1S/C4H12N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2,5-6H2/t3-,4-/m0/s1
InChIKeyHYXRUUHQXNAFAJ-IMJSIDKUSA-N
MW120.15 g/mol
LogP-2.37
Rot. Bonds3

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

(2S,3S)-1,4-diaminobutane-2,3-diol (PubChem CID 11789191) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2S,3S)-1,4-diaminobutane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-1,4-diaminobutane-2,3-diol
PubChem CID11789191
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name(2S,3S)-1,4-diaminobutane-2,3-diol
SMILESNC[C@H](O)[C@@H](O)CN
InChIInChI=1S/C4H12N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2,5-6H2/t3-,4-/m0/s1
InChIKeyHYXRUUHQXNAFAJ-IMJSIDKUSA-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)-1,4-diaminobutane-2,3-diol?
The IUPAC name of (2S,3S)-1,4-diaminobutane-2,3-diol (CID 11789191) is (2S,3S)-1,4-diaminobutane-2,3-diol.
What is the SMILES notation for (2S,3S)-1,4-diaminobutane-2,3-diol?
The canonical SMILES for (2S,3S)-1,4-diaminobutane-2,3-diol is NC[C@H](O)[C@@H](O)CN.
What is the InChIKey of (2S,3S)-1,4-diaminobutane-2,3-diol?
The InChIKey is HYXRUUHQXNAFAJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H12N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2,5-6H2/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-1,4-diaminobutane-2,3-diol?
(2S,3S)-1,4-diaminobutane-2,3-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)-1,4-diaminobutane-2,3-diol is sourced from PubChem (CID 11789191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).