2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid

C11H13N3O3 — CID 55248178

IUPAC2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESNC1CCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C11H13N3O3/c12-7-3-5-14(6-7)10(15)9-8(11(16)17)2-1-4-13-9/h1-2,4,7H,3,5-6,12H2,(H,16,17)
InChIKeyBKQVOZSDFAJBMT-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.05
Rot. Bonds2

About 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid

2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 55248178) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID55248178
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESNC1CCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C11H13N3O3/c12-7-3-5-14(6-7)10(15)9-8(11(16)17)2-1-4-13-9/h1-2,4,7H,3,5-6,12H2,(H,16,17)
InChIKeyBKQVOZSDFAJBMT-UHFFFAOYSA-N
XLogP-0.05
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid (CID 55248178) is 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid is NC1CCN(C(=O)c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is BKQVOZSDFAJBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-7-3-5-14(6-7)10(15)9-8(11(16)17)2-1-4-13-9/h1-2,4,7H,3,5-6,12H2,(H,16,17).
What are the key properties of 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55248178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).