1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid

C14H19N3O4 — CID 43359705

IUPAC1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(N(C)C)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-16(2)12-5-4-9(7-15-12)13(18)17-8-10(21-3)6-11(17)14(19)20/h4-5,7,10-11H,6,8H2,1-3H3,(H,19,20)
InChIKeyVCJDIGVGJSWFFK-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.46
Rot. Bonds4

About 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 43359705) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID43359705
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(N(C)C)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-16(2)12-5-4-9(7-15-12)13(18)17-8-10(21-3)6-11(17)14(19)20/h4-5,7,10-11H,6,8H2,1-3H3,(H,19,20)
InChIKeyVCJDIGVGJSWFFK-UHFFFAOYSA-N
XLogP0.46
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 120534511
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
(2S,3aS,7aS)-1-[6-(dimethylamino)pyridine-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124685183
(2S,3aR,7aR)-1-[6-(dimethylamino)pyridine-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125138115
(2S,3aR,7aS)-1-[6-(dimethylamino)pyridine-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124685181
1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534462
(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97434426
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
1-(5-bromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359709
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 43359705) is 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccc(N(C)C)nc2)C1.
What is the InChIKey of 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is VCJDIGVGJSWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(2)12-5-4-9(7-15-12)13(18)17-8-10(21-3)6-11(17)14(19)20/h4-5,7,10-11H,6,8H2,1-3H3,(H,19,20).
What are the key properties of 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43359705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).