2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H23N3O2 — CID 72911626

IUPAC2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC[C@H]1CN(c2nc3c(cc2C(=O)O)CCC3)C[C@@H]1N
InChIInChI=1S/C16H23N3O2/c1-2-4-11-8-19(9-13(11)17)15-12(16(20)21)7-10-5-3-6-14(10)18-15/h7,11,13H,2-6,8-9,17H2,1H3,(H,20,21)/t11-,13-/m0/s1
InChIKeyOAZXXDZTQCFOJY-AAEUAGOBSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds4

About 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 72911626) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID72911626
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC[C@H]1CN(c2nc3c(cc2C(=O)O)CCC3)C[C@@H]1N
InChIInChI=1S/C16H23N3O2/c1-2-4-11-8-19(9-13(11)17)15-12(16(20)21)7-10-5-3-6-14(10)18-15/h7,11,13H,2-6,8-9,17H2,1H3,(H,20,21)/t11-,13-/m0/s1
InChIKeyOAZXXDZTQCFOJY-AAEUAGOBSA-N
XLogP1.83
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 72911626) is 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCC[C@H]1CN(c2nc3c(cc2C(=O)O)CCC3)C[C@@H]1N.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is OAZXXDZTQCFOJY-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-4-11-8-19(9-13(11)17)15-12(16(20)21)7-10-5-3-6-14(10)18-15/h7,11,13H,2-6,8-9,17H2,1H3,(H,20,21)/t11-,13-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 72911626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).