3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid

C12H15N3O4 — CID 107323207

IUPAC3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cnccc1C(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H15N3O4/c1-19-9-6-14-4-2-8(9)10(16)15-5-3-12(13,7-15)11(17)18/h2,4,6H,3,5,7,13H2,1H3,(H,17,18)
InChIKeyXSLZHBFBTFDENX-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.28
Rot. Bonds3

About 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323207) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323207
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cnccc1C(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H15N3O4/c1-19-9-6-14-4-2-8(9)10(16)15-5-3-12(13,7-15)11(17)18/h2,4,6H,3,5,7,13H2,1H3,(H,17,18)
InChIKeyXSLZHBFBTFDENX-UHFFFAOYSA-N
XLogP-0.28
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-hydroxy-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 107323662
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
(3-methoxy-4-pyridinyl)-(7-methylspiro[5,8-dihydroimidazo[1,2-a]pyrazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131697407
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
CID 131689296
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(3-methoxy-4-pyridinyl)methanone
CID 131691435
(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105063024
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323207) is 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid is COc1cnccc1C(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XSLZHBFBTFDENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-9-6-14-4-2-8(9)10(16)15-5-3-12(13,7-15)11(17)18/h2,4,6H,3,5,7,13H2,1H3,(H,17,18).
What are the key properties of 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).