6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C92H109N15O18 — CID 159928365

About 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 159928365) has the molecular formula C92H109N15O18 and a molecular weight of 1712.97 g/mol. Its IUPAC name is 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 159928365
• Molecular Formula: C92H109N15O18
• Molecular Weight: 1712.97 g/mol
• Exact Mass: 1711.81
• IUPAC Name: 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(N)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CC[C@H](N)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H](N)[C@@H](O)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H](N)[C@H](OC)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H](OC)[C@@H](N)C2)cc1
• InChI: InChI=1S/2C19H23N3O4.C18H21N3O4.2C18H21N3O3/c2*1-3-11-8-14(19(24)25)18(23)21-17(11)12-4-6-13(7-5-12)22-9-15(20)16(10-22)26-2;1-2-10-7-13(18(24)25)17(23)20-16(10)11-3-5-12(6-4-11)21-8-14(19)15(22)9-21;2*1-2-11-9-15(18(23)24)17(22)20-16(11)12-3-5-14(6-4-12)21-8-7-13(19)10-21/h2*4-8,15-16H,3,9-10,20H2,1-2H3,(H,21,23)(H,24,25);3-7,14-15,22H,2,8-9,19H2,1H3,(H,20,23)(H,24,25);2*3-6,9,13H,2,7-8,10,19H2,1H3,(H,20,22)(H,23,24)/t15-,16+;15-,16-;14-,15-;13-;/m0000./s1
• InChIKey: NZHXIJBOZXWENS-BVILAAMBSA-N
• XLogP: 7.42
• TPSA: 535.79 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.97
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 159928365) is 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(N)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CC[C@H](N)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H](N)[C@@H](O)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H](N)[C@H](OC)C2)cc1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H](OC)[C@@H](N)C2)cc1.

What is the InChIKey of 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is NZHXIJBOZXWENS-BVILAAMBSA-N. The full InChI is InChI=1S/2C19H23N3O4.C18H21N3O4.2C18H21N3O3/c2*1-3-11-8-14(19(24)25)18(23)21-17(11)12-4-6-13(7-5-12)22-9-15(20)16(10-22)26-2;1-2-10-7-13(18(24)25)17(23)20-16(10)11-3-5-12(6-4-11)21-8-14(19)15(22)9-21;2*1-2-11-9-15(18(23)24)17(22)20-16(11)12-3-5-14(6-4-12)21-8-7-13(19)10-21/h2*4-8,15-16H,3,9-10,20H2,1-2H3,(H,21,23)(H,24,25);3-7,14-15,22H,2,8-9,19H2,1H3,(H,20,23)(H,24,25);2*3-6,9,13H,2,7-8,10,19H2,1H3,(H,20,22)(H,23,24)/t15-,16+;15-,16-;14-,15-;13-;/m0000./s1.

What are the key properties of 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?

6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1712.97 g/mol, XLogP of 7.42, 22 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 159928365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).