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

C11H13NO4 — CID 164877303

IUPAC(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
SMILESCC1(C)Oc2ncc(C(=O)O)cc2C[C@@H]1O
InChIInChI=1S/C11H13NO4/c1-11(2)8(13)4-6-3-7(10(14)15)5-12-9(6)16-11/h3,5,8,13H,4H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyGZKFKWJPKJYSNY-QMMMGPOBSA-N
MW223.23 g/mol
LogP0.85
Rot. Bonds1

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

(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid (PubChem CID 164877303) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
PubChem CID164877303
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
SMILESCC1(C)Oc2ncc(C(=O)O)cc2C[C@@H]1O
InChIInChI=1S/C11H13NO4/c1-11(2)8(13)4-6-3-7(10(14)15)5-12-9(6)16-11/h3,5,8,13H,4H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyGZKFKWJPKJYSNY-QMMMGPOBSA-N
XLogP0.85
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
CID 167173985
(3S)-6-[3-(3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-3-ol
CID 164877338
1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-6-yl]ethanone
CID 70283476
2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
CID 166000114
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-hydroxy-2-methyl-3,4-dihydrochromene-6-carboxylic acid
CID 10338460
(3R)-3-hydroxy-8-[(3S)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid
CID 162883570
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid
CID 167003420
(3S)-3,5-dihydroxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-8-carboxylic acid
CID 163409654
(3R)-6-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-c]pyridin-6-yl]-3-methyl-2,3-dihydropyran-4-one
CID 170989840
2-chlorothiophene-3-carboxamide;1-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone
CID 144875205
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
CID 167003127
(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 66608053

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid (CID 164877303) is (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid is CC1(C)Oc2ncc(C(=O)O)cc2C[C@@H]1O.
What is the InChIKey of (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is GZKFKWJPKJYSNY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-11(2)8(13)4-6-3-7(10(14)15)5-12-9(6)16-11/h3,5,8,13H,4H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid?
(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 164877303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).