(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid

C14H16N2O3 — CID 122059598

IUPAC(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1CCCc2nc(N3CCC[C@H]3C(=O)O)ccc21
InChIInChI=1S/C14H16N2O3/c17-12-5-1-3-10-9(12)6-7-13(15-10)16-8-2-4-11(16)14(18)19/h6-7,11H,1-5,8H2,(H,18,19)/t11-/m0/s1
InChIKeyIRDZCQZFBDSVKJ-NSHDSACASA-N
MW260.29 g/mol
LogP1.65
Rot. Bonds2

About (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122059598) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122059598
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1CCCc2nc(N3CCC[C@H]3C(=O)O)ccc21
InChIInChI=1S/C14H16N2O3/c17-12-5-1-3-10-9(12)6-7-13(15-10)16-8-2-4-11(16)14(18)19/h6-7,11H,1-5,8H2,(H,18,19)/t11-/m0/s1
InChIKeyIRDZCQZFBDSVKJ-NSHDSACASA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid (CID 122059598) is (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid is O=C1CCCc2nc(N3CCC[C@H]3C(=O)O)ccc21.
What is the InChIKey of (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IRDZCQZFBDSVKJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-5-1-3-10-9(12)6-7-13(15-10)16-8-2-4-11(16)14(18)19/h6-7,11H,1-5,8H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).