(2S,3S)-2-aminobutane-1,3-diol

C4H11NO2 — CID 7020320

IUPAC(2S,3S)-2-aminobutane-1,3-diol
SMILESC[C@H](O)[C@@H](N)CO
InChIInChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1
InChIKeyMUVQIIBPDFTEKM-IMJSIDKUSA-N
MW105.14 g/mol
LogP-1.31
Rot. Bonds2

About (2S,3S)-2-aminobutane-1,3-diol

(2S,3S)-2-aminobutane-1,3-diol (PubChem CID 7020320) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is (2S,3S)-2-aminobutane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-2-aminobutane-1,3-diol
PubChem CID7020320
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name(2S,3S)-2-aminobutane-1,3-diol
SMILESC[C@H](O)[C@@H](N)CO
InChIInChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1
InChIKeyMUVQIIBPDFTEKM-IMJSIDKUSA-N
XLogP-1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-aminobutane-1,3-diol?
The IUPAC name of (2S,3S)-2-aminobutane-1,3-diol (CID 7020320) is (2S,3S)-2-aminobutane-1,3-diol.
What is the SMILES notation for (2S,3S)-2-aminobutane-1,3-diol?
The canonical SMILES for (2S,3S)-2-aminobutane-1,3-diol is C[C@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3S)-2-aminobutane-1,3-diol?
The InChIKey is MUVQIIBPDFTEKM-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-2-aminobutane-1,3-diol?
(2S,3S)-2-aminobutane-1,3-diol has a molecular weight of 105.14 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-aminobutane-1,3-diol is sourced from PubChem (CID 7020320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).