3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid

C11H15N3O2 — CID 107325393

IUPAC3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(N)(C(=O)O)C2)ccn1
InChIInChI=1S/C11H15N3O2/c1-8-6-9(2-4-13-8)14-5-3-11(12,7-14)10(15)16/h2,4,6H,3,5,7,12H2,1H3,(H,15,16)
InChIKeyNRSGPXPYNZMFAB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.38
Rot. Bonds2

About 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 107325393) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID107325393
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(N)(C(=O)O)C2)ccn1
InChIInChI=1S/C11H15N3O2/c1-8-6-9(2-4-13-8)14-5-3-11(12,7-14)10(15)16/h2,4,6H,3,5,7,12H2,1H3,(H,15,16)
InChIKeyNRSGPXPYNZMFAB-UHFFFAOYSA-N
XLogP0.38
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104924644
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
[3-ethyl-1-(2-methyl-4-pyridinyl)piperidin-3-yl]methanol
CID 72847821
(3R)-3-(3-methoxypropyl)-1-(2-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 97140737
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325271
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid (CID 107325393) is 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid is Cc1cc(N2CCC(N)(C(=O)O)C2)ccn1.
What is the InChIKey of 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NRSGPXPYNZMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-6-9(2-4-13-8)14-5-3-11(12,7-14)10(15)16/h2,4,6H,3,5,7,12H2,1H3,(H,15,16).
What are the key properties of 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).