(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 61184197

IUPAC(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H18N2O4/c18-11-8-13(14(19)20)17(9-11)15(21)16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,11,13,18H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyAVYMRXGWXGIDKS-YUZLPWPTSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds1

About (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61184197) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61184197
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H18N2O4/c18-11-8-13(14(19)20)17(9-11)15(21)16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,11,13,18H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyAVYMRXGWXGIDKS-YUZLPWPTSA-N
XLogP1.08
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid
CID 167863130
(2S,4S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712535
(1S,2R,3S,4R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100810787
(1R,2S,3S,4S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 40555350
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 61184197) is (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)N1CCCc2ccccc21.
What is the InChIKey of (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AVYMRXGWXGIDKS-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11-8-13(14(19)20)17(9-11)15(21)16-7-3-5-10-4-1-2-6-12(10)16/h1-2,4,6,11,13,18H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61184197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).