(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid

C14H15NO3 — CID 122616298

IUPAC(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC[C@]1(CCNC1=O)C2
InChIInChI=1S/C14H15NO3/c16-12(17)10-1-2-11-8-14(4-3-9(11)7-10)5-6-15-13(14)18/h1-2,7H,3-6,8H2,(H,15,18)(H,16,17)/t14-/m0/s1
InChIKeySQUGORCMHXRYDR-AWEZNQCLSA-N
MW245.28 g/mol
LogP1.38
Rot. Bonds1

About (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid

(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid (PubChem CID 122616298) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
PubChem CID122616298
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC[C@]1(CCNC1=O)C2
InChIInChI=1S/C14H15NO3/c16-12(17)10-1-2-11-8-14(4-3-9(11)7-10)5-6-15-13(14)18/h1-2,7H,3-6,8H2,(H,15,18)(H,16,17)/t14-/m0/s1
InChIKeySQUGORCMHXRYDR-AWEZNQCLSA-N
XLogP1.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The IUPAC name of (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid (CID 122616298) is (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid.
What is the SMILES notation for (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The canonical SMILES for (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC[C@]1(CCNC1=O)C2.
What is the InChIKey of (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The InChIKey is SQUGORCMHXRYDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(17)10-1-2-11-8-14(4-3-9(11)7-10)5-6-15-13(14)18/h1-2,7H,3-6,8H2,(H,15,18)(H,16,17)/t14-/m0/s1.
What are the key properties of (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid is sourced from PubChem (CID 122616298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).