(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid

C10H17NO3 — CID 124709454

IUPAC(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]2CCCN[C@@H]2[C@@H]1O
InChIInChI=1S/C10H17NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h6-9,11-12H,1-5H2,(H,13,14)/t6-,7+,8-,9+/m0/s1
InChIKeyKKHCSSWTIOHCBS-UYXSQOIJSA-N
MW199.25 g/mol
LogP0.21
Rot. Bonds1

About (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid

(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid (PubChem CID 124709454) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid
PubChem CID124709454
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H]2CCCN[C@@H]2[C@@H]1O
InChIInChI=1S/C10H17NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h6-9,11-12H,1-5H2,(H,13,14)/t6-,7+,8-,9+/m0/s1
InChIKeyKKHCSSWTIOHCBS-UYXSQOIJSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide
CID 16781900
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2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
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(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522
2-cycloheptyl-3-methylpiperidine
CID 84720602

Frequently Asked Questions

What is the IUPAC name of (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid?
The IUPAC name of (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid (CID 124709454) is (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid.
What is the SMILES notation for (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid?
The canonical SMILES for (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid is O=C(O)[C@@H]1CC[C@@H]2CCCN[C@@H]2[C@@H]1O.
What is the InChIKey of (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid?
The InChIKey is KKHCSSWTIOHCBS-UYXSQOIJSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9-7(10(13)14)4-3-6-2-1-5-11-8(6)9/h6-9,11-12H,1-5H2,(H,13,14)/t6-,7+,8-,9+/m0/s1.
What are the key properties of (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid?
(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid is sourced from PubChem (CID 124709454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).