(3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

C14H16N2O3 — CID 95128661

IUPAC(3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(Cc2cnc3c(c2)CCC3)C1
InChIInChI=1S/C14H16N2O3/c17-13-5-11(14(18)19)8-16(13)7-9-4-10-2-1-3-12(10)15-6-9/h4,6,11H,1-3,5,7-8H2,(H,18,19)/t11-/m0/s1
InChIKeyIGVNDMSQWYVUSG-NSHDSACASA-N
MW260.29 g/mol
LogP1.00
Rot. Bonds3

About (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 95128661) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID95128661
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(Cc2cnc3c(c2)CCC3)C1
InChIInChI=1S/C14H16N2O3/c17-13-5-11(14(18)19)8-16(13)7-9-4-10-2-1-3-12(10)15-6-9/h4,6,11H,1-3,5,7-8H2,(H,18,19)/t11-/m0/s1
InChIKeyIGVNDMSQWYVUSG-NSHDSACASA-N
XLogP1.00
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 95128661) is (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(Cc2cnc3c(c2)CCC3)C1.
What is the InChIKey of (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IGVNDMSQWYVUSG-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-5-11(14(18)19)8-16(13)7-9-4-10-2-1-3-12(10)15-6-9/h4,6,11H,1-3,5,7-8H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95128661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).