1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid

C10H13NO3 — CID 154430045

IUPAC1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid
SMILESO=C(O)C1CCC2CC=CC=C2N1O
InChIInChI=1S/C10H13NO3/c12-10(13)9-6-5-7-3-1-2-4-8(7)11(9)14/h1-2,4,7,9,14H,3,5-6H2,(H,12,13)
InChIKeyHZNPPKJDUVUGLC-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.38
Rot. Bonds1

About 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid

1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid (PubChem CID 154430045) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid
PubChem CID154430045
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid
SMILESO=C(O)C1CCC2CC=CC=C2N1O
InChIInChI=1S/C10H13NO3/c12-10(13)9-6-5-7-3-1-2-4-8(7)11(9)14/h1-2,4,7,9,14H,3,5-6H2,(H,12,13)
InChIKeyHZNPPKJDUVUGLC-UHFFFAOYSA-N
XLogP1.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3a,4-tetrahydro-2-benzofuran-1-carboxylic acid
CID 66628500
2-(3,4,4a,5-tetrahydro-2H-quinolin-1-ylmethylidene)propanedioic acid
CID 67900144
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-2-chloroethanone
CID 70604856
ethyl 3,4,4a,5-tetrahydro-2H-quinoline-1-carboxylate
CID 140970250
1-acetyl-3a,4-dihydro-3H-indol-2-one
CID 151705115
2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide
CID 67271325
(5S)-5-[(6-fluoro-2H-pyridin-1-yl)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 67903990
2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 67780854
1,3,3a,4-tetrahydroisoindole-2-carboxamide
CID 153489139
2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate
CID 150816342
2-(1,3,3a,4-tetrahydroisoindol-2-yl)acetic acid
CID 67669597
methyl 2-methyl-1-(2,2,2-trifluoroacetyl)-3,4,4a,5-tetrahydroquinoline-2-carboxylate
CID 86750627

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid (CID 154430045) is 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid is O=C(O)C1CCC2CC=CC=C2N1O.
What is the InChIKey of 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid?
The InChIKey is HZNPPKJDUVUGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)9-6-5-7-3-1-2-4-8(7)11(9)14/h1-2,4,7,9,14H,3,5-6H2,(H,12,13).
What are the key properties of 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid?
1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 154430045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).