6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C18H19N3O4 — CID 71292537

IUPAC6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(N3C[C@@H]4C(N)[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H19N3O4/c1-8-15(20-17(23)13(16(8)22)18(24)25)9-2-4-10(5-3-9)21-6-11-12(7-21)14(11)19/h2-5,11-12,14H,6-7,19H2,1H3,(H,24,25)(H2,20,22,23)/t11-,12+,14?
InChIKeyNUESTTUVTQGKDH-ONXXMXGDSA-N
MW341.37 g/mol
LogP1.15
Rot. Bonds3

About 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71292537) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71292537
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(-c2ccc(N3C[C@@H]4C(N)[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H19N3O4/c1-8-15(20-17(23)13(16(8)22)18(24)25)9-2-4-10(5-3-9)21-6-11-12(7-21)14(11)19/h2-5,11-12,14H,6-7,19H2,1H3,(H,24,25)(H2,20,22,23)/t11-,12+,14?
InChIKeyNUESTTUVTQGKDH-ONXXMXGDSA-N
XLogP1.15
TPSA119.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71292537) is 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1c(-c2ccc(N3C[C@@H]4C(N)[C@@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is NUESTTUVTQGKDH-ONXXMXGDSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-8-15(20-17(23)13(16(8)22)18(24)25)9-2-4-10(5-3-9)21-6-11-12(7-21)14(11)19/h2-5,11-12,14H,6-7,19H2,1H3,(H,24,25)(H2,20,22,23)/t11-,12+,14?.
What are the key properties of 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71292537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).