(3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid

C17H23N3O3 — CID 164634156

IUPAC(3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@@H]1C(=O)O
InChIInChI=1S/C17H23N3O3/c1-9(2)12-7-20(8-13(12)17(22)23)16-11(15(18)21)6-10-4-3-5-14(10)19-16/h6,9,12-13H,3-5,7-8H2,1-2H3,(H2,18,21)(H,22,23)/t12-,13+/m1/s1
InChIKeyFERWTFVIZQXQRM-OLZOCXBDSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds4

About (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 164634156) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID164634156
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@@H]1C(=O)O
InChIInChI=1S/C17H23N3O3/c1-9(2)12-7-20(8-13(12)17(22)23)16-11(15(18)21)6-10-4-3-5-14(10)19-16/h6,9,12-13H,3-5,7-8H2,1-2H3,(H2,18,21)(H,22,23)/t12-,13+/m1/s1
InChIKeyFERWTFVIZQXQRM-OLZOCXBDSA-N
XLogP1.46
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid (CID 164634156) is (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)[C@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FERWTFVIZQXQRM-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-9(2)12-7-20(8-13(12)17(22)23)16-11(15(18)21)6-10-4-3-5-14(10)19-16/h6,9,12-13H,3-5,7-8H2,1-2H3,(H2,18,21)(H,22,23)/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164634156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).