5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid

C10H17NO3 — CID 70419790

IUPAC5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CCC2C(O)CCCC2N1
InChIInChI=1S/C10H17NO3/c12-9-3-1-2-7-6(9)4-5-8(11-7)10(13)14/h6-9,11-12H,1-5H2,(H,13,14)
InChIKeyZCQZOEOWINLTON-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.35
Rot. Bonds1

About 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid

5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid (PubChem CID 70419790) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
PubChem CID70419790
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CCC2C(O)CCCC2N1
InChIInChI=1S/C10H17NO3/c12-9-3-1-2-7-6(9)4-5-8(11-7)10(13)14/h6-9,11-12H,1-5H2,(H,13,14)
InChIKeyZCQZOEOWINLTON-UHFFFAOYSA-N
XLogP0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid?
The IUPAC name of 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid (CID 70419790) is 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid is O=C(O)C1CCC2C(O)CCCC2N1.
What is the InChIKey of 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid?
The InChIKey is ZCQZOEOWINLTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9-3-1-2-7-6(9)4-5-8(11-7)10(13)14/h6-9,11-12H,1-5H2,(H,13,14).
What are the key properties of 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid?
5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 70419790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).