(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid

C11H14N2O4 — CID 167173985

IUPAC(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
SMILESCC1(C)Oc2ncc(C(=O)O)cc2[C@@H](N)[C@@H]1O
InChIInChI=1S/C11H14N2O4/c1-11(2)8(14)7(12)6-3-5(10(15)16)4-13-9(6)17-11/h3-4,7-8,14H,12H2,1-2H3,(H,15,16)/t7-,8+/m1/s1
InChIKeyQOYFAKRCWOFVTI-SFYZADRCSA-N
MW238.24 g/mol
LogP0.31
Rot. Bonds1

About (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid

(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid (PubChem CID 167173985) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
PubChem CID167173985
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
SMILESCC1(C)Oc2ncc(C(=O)O)cc2[C@@H](N)[C@@H]1O
InChIInChI=1S/C11H14N2O4/c1-11(2)8(14)7(12)6-3-5(10(15)16)4-13-9(6)17-11/h3-4,7-8,14H,12H2,1-2H3,(H,15,16)/t7-,8+/m1/s1
InChIKeyQOYFAKRCWOFVTI-SFYZADRCSA-N
XLogP0.31
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid (CID 167173985) is (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid is CC1(C)Oc2ncc(C(=O)O)cc2[C@@H](N)[C@@H]1O.
What is the InChIKey of (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is QOYFAKRCWOFVTI-SFYZADRCSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2)8(14)7(12)6-3-5(10(15)16)4-13-9(6)17-11/h3-4,7-8,14H,12H2,1-2H3,(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 167173985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).