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

C10H11N3O3 — CID 168692272

IUPAC1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cccnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H11N3O3/c11-7-2-1-3-12-9(7)13-5-6(10(15)16)4-8(13)14/h1-3,6H,4-5,11H2,(H,15,16)
InChIKeyGIWHODYBFBVJRB-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.10
Rot. Bonds2

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

1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692272) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692272
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cccnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H11N3O3/c11-7-2-1-3-12-9(7)13-5-6(10(15)16)4-8(13)14/h1-3,6H,4-5,11H2,(H,15,16)
InChIKeyGIWHODYBFBVJRB-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-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690786
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693214
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155
1-(3-hydroxy-2-pyridinyl)azetidine-3-carboxylic acid
CID 71649635
methyl 1-(3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694996
1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692175
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
2-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
CID 103530537

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692272) is 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is Nc1cccnc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GIWHODYBFBVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-7-2-1-3-12-9(7)13-5-6(10(15)16)4-8(13)14/h1-3,6H,4-5,11H2,(H,15,16).
What are the key properties of 1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-amino-2-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-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).