(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid

C19H18N2O3 — CID 122616409

IUPAC(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC[C@@]1(CCN(c3ccccn3)C1=O)C2
InChIInChI=1S/C19H18N2O3/c22-17(23)14-4-5-15-12-19(7-6-13(15)11-14)8-10-21(18(19)24)16-3-1-2-9-20-16/h1-5,9,11H,6-8,10,12H2,(H,22,23)/t19-/m1/s1
InChIKeyFZMAHOMSMKBRGV-LJQANCHMSA-N
MW322.36 g/mol
LogP2.69
Rot. Bonds2

About (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid

(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid (PubChem CID 122616409) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid.

Molecular Properties

Compound Name(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
PubChem CID122616409
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC[C@@]1(CCN(c3ccccn3)C1=O)C2
InChIInChI=1S/C19H18N2O3/c22-17(23)14-4-5-15-12-19(7-6-13(15)11-14)8-10-21(18(19)24)16-3-1-2-9-20-16/h1-5,9,11H,6-8,10,12H2,(H,22,23)/t19-/m1/s1
InChIKeyFZMAHOMSMKBRGV-LJQANCHMSA-N
XLogP2.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The IUPAC name of (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid (CID 122616409) is (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid.
What is the SMILES notation for (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The canonical SMILES for (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC[C@@]1(CCN(c3ccccn3)C1=O)C2.
What is the InChIKey of (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The InChIKey is FZMAHOMSMKBRGV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17(23)14-4-5-15-12-19(7-6-13(15)11-14)8-10-21(18(19)24)16-3-1-2-9-20-16/h1-5,9,11H,6-8,10,12H2,(H,22,23)/t19-/m1/s1.
What are the key properties of (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid is sourced from PubChem (CID 122616409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).