(3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid

C20H19N3O2 — CID 164636164

IUPAC(3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cccc3ncccc23)C[C@@H]1c1cccnc1
InChIInChI=1S/C20H19N3O2/c24-20(25)18-13-23(12-17(18)14-5-2-8-21-10-14)11-15-4-1-7-19-16(15)6-3-9-22-19/h1-10,17-18H,11-13H2,(H,24,25)/t17-,18+/m1/s1
InChIKeyMFVAKAMALRGYFD-MSOLQXFVSA-N
MW333.39 g/mol
LogP2.93
Rot. Bonds4

About (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid

(3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 164636164) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID164636164
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cccc3ncccc23)C[C@@H]1c1cccnc1
InChIInChI=1S/C20H19N3O2/c24-20(25)18-13-23(12-17(18)14-5-2-8-21-10-14)11-15-4-1-7-19-16(15)6-3-9-22-19/h1-10,17-18H,11-13H2,(H,24,25)/t17-,18+/m1/s1
InChIKeyMFVAKAMALRGYFD-MSOLQXFVSA-N
XLogP2.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
CID 119553
5-(2-Methyl-3-(pyridin-3-yl)-1H-indol-1-yl)pentanoic acid
CID 9926621
Methyl 8-methyl-3-(4-(quinolin-3-yl)phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 10178229
1-(4-Carboxybutyl)-3-methyl-2-(3-pyridyl)indole
CID 15591372
(8beta)-6-Methylergoline-8-carboxylic acid
CID 12940526
7-[4-(Quinolin-3-ylmethyl)phenyl]heptanoic acid
CID 10360337
3-(Quinolin-3-yl)propanoic acid
CID 12415751
6-Allyl-8beta-carboxyergoline
CID 14380957
Methyl 4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 13878009
7-[4-(Quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
(3R,4S)-3-amino-4-(3-boronopropyl)-1-(quinolin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 57331398
6-(Prop-2-en-1-yl)ergoline-8-carboxylic acid
CID 3070832

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid (CID 164636164) is (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(Cc2cccc3ncccc23)C[C@@H]1c1cccnc1.
What is the InChIKey of (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MFVAKAMALRGYFD-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)18-13-23(12-17(18)14-5-2-8-21-10-14)11-15-4-1-7-19-16(15)6-3-9-22-19/h1-10,17-18H,11-13H2,(H,24,25)/t17-,18+/m1/s1.
What are the key properties of (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-pyridin-3-yl-1-(quinolin-5-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).