3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid

C20H19N3O4 — CID 170188617

IUPAC3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(N)(C(=O)O)C3)ccc12
InChIInChI=1S/C20H19N3O4/c1-12-4-2-3-5-13(12)15-10-17(24)27-18-14(15)6-7-16(22-18)23-9-8-20(21,11-23)19(25)26/h2-7,10H,8-9,11,21H2,1H3,(H,25,26)
InChIKeyOYXDKMVIKHPACV-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.16
Rot. Bonds3

About 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid

3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid (PubChem CID 170188617) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
PubChem CID170188617
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(N)(C(=O)O)C3)ccc12
InChIInChI=1S/C20H19N3O4/c1-12-4-2-3-5-13(12)15-10-17(24)27-18-14(15)6-7-16(22-18)23-9-8-20(21,11-23)19(25)26/h2-7,10H,8-9,11,21H2,1H3,(H,25,26)
InChIKeyOYXDKMVIKHPACV-UHFFFAOYSA-N
XLogP2.16
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid (CID 170188617) is 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid is Cc1ccccc1-c1cc(=O)oc2nc(N3CCC(N)(C(=O)O)C3)ccc12.
What is the InChIKey of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is OYXDKMVIKHPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-4-2-3-5-13(12)15-10-17(24)27-18-14(15)6-7-16(22-18)23-9-8-20(21,11-23)19(25)26/h2-7,10H,8-9,11,21H2,1H3,(H,25,26).
What are the key properties of 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid?
3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 170188617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).