(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol

C8H13N3O — CID 55293388

IUPAC(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
SMILESNc1cc([C@H](N)CCO)ccn1
InChIInChI=1S/C8H13N3O/c9-7(2-4-12)6-1-3-11-8(10)5-6/h1,3,5,7,12H,2,4,9H2,(H2,10,11)/t7-/m1/s1
InChIKeyQTKAGLYEPICMMA-SSDOTTSWSA-N
MW167.21 g/mol
LogP0.05
Rot. Bonds3

About (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol

(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol (PubChem CID 55293388) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
PubChem CID55293388
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
SMILESNc1cc([C@H](N)CCO)ccn1
InChIInChI=1S/C8H13N3O/c9-7(2-4-12)6-1-3-11-8(10)5-6/h1,3,5,7,12H,2,4,9H2,(H2,10,11)/t7-/m1/s1
InChIKeyQTKAGLYEPICMMA-SSDOTTSWSA-N
XLogP0.05
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
CID 55274821
3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol
CID 84768737
4-[(1R)-1-aminopropyl]pyridin-2-amine
CID 55274349
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
4-[(1R)-1-aminoethyl]pyridin-2-amine
CID 55274055
3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
CID 91024005
(1S,2S)-1-amino-1-(2-amino-4-pyridinyl)propan-2-ol
CID 55291915
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271579
(3R)-3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55272189
4-hexan-3-ylpyridin-2-amine
CID 139517317
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol (CID 55293388) is (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol is Nc1cc([C@H](N)CCO)ccn1.
What is the InChIKey of (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol?
The InChIKey is QTKAGLYEPICMMA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7(2-4-12)6-1-3-11-8(10)5-6/h1,3,5,7,12H,2,4,9H2,(H2,10,11)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol?
(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 55293388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).