4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol

C10H15NO3 — CID 130673719

IUPAC4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
SMILESC[C@@](N)(CCO)c1ccc(O)cc1O
InChIInChI=1S/C10H15NO3/c1-10(11,4-5-12)8-3-2-7(13)6-9(8)14/h2-3,6,12-14H,4-5,11H2,1H3/t10-/m1/s1
InChIKeyBJIOJBDMRWAKPM-SNVBAGLBSA-N
MW197.23 g/mol
LogP0.65
Rot. Bonds3

About 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol

4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol (PubChem CID 130673719) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
PubChem CID130673719
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
SMILESC[C@@](N)(CCO)c1ccc(O)cc1O
InChIInChI=1S/C10H15NO3/c1-10(11,4-5-12)8-3-2-7(13)6-9(8)14/h2-3,6,12-14H,4-5,11H2,1H3/t10-/m1/s1
InChIKeyBJIOJBDMRWAKPM-SNVBAGLBSA-N
XLogP0.65
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol (CID 130673719) is 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol is C[C@@](N)(CCO)c1ccc(O)cc1O.
What is the InChIKey of 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol?
The InChIKey is BJIOJBDMRWAKPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(11,4-5-12)8-3-2-7(13)6-9(8)14/h2-3,6,12-14H,4-5,11H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol?
4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol has a molecular weight of 197.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 130673719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).