1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C10H11N3O3 — CID 168692273

IUPAC1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1ncccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H11N3O3/c11-9-7(2-1-3-12-9)13-5-6(10(15)16)4-8(13)14/h1-3,6H,4-5H2,(H2,11,12)(H,15,16)
InChIKeyLGFNEPKIDMZPSV-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.10
Rot. Bonds2

About 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692273) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692273
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1ncccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H11N3O3/c11-9-7(2-1-3-12-9)13-5-6(10(15)16)4-8(13)14/h1-3,6H,4-5H2,(H2,11,12)(H,15,16)
InChIKeyLGFNEPKIDMZPSV-UHFFFAOYSA-N
XLogP0.10
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
S-[1-(2-amino-3-pyridinyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707292
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 168691890
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
methyl 1-(2-iodo-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695320
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692175
1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50948586

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692273) is 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is Nc1ncccc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LGFNEPKIDMZPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-9-7(2-1-3-12-9)13-5-6(10(15)16)4-8(13)14/h1-3,6H,4-5H2,(H2,11,12)(H,15,16).
What are the key properties of 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).