3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid

C16H23N3O3 — CID 166290413

IUPAC3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid
SMILESCC1(C)CCCN1C(=O)N(CCC(=O)O)Cc1cccnc1
InChIInChI=1S/C16H23N3O3/c1-16(2)7-4-9-19(16)15(22)18(10-6-14(20)21)12-13-5-3-8-17-11-13/h3,5,8,11H,4,6-7,9-10,12H2,1-2H3,(H,20,21)
InChIKeyGVFQEFNWEXDEIC-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.35
Rot. Bonds5

About 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid

3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid (PubChem CID 166290413) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid
PubChem CID166290413
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid
SMILESCC1(C)CCCN1C(=O)N(CCC(=O)O)Cc1cccnc1
InChIInChI=1S/C16H23N3O3/c1-16(2)7-4-9-19(16)15(22)18(10-6-14(20)21)12-13-5-3-8-17-11-13/h3,5,8,11H,4,6-7,9-10,12H2,1-2H3,(H,20,21)
InChIKeyGVFQEFNWEXDEIC-UHFFFAOYSA-N
XLogP2.35
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
3-[[methyl(pyridin-3-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61203602
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
3-[(3S,4aR,5S,10bR)-5-methyl-1'-[3-[methyl(pyridin-3-ylmethyl)amino]propanoyl]spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,2'-pyrrolidine]-5-yl]propanoic acid
CID 110161206
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
(2,2-dimethylpyrrolidin-1-yl)-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70729622
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid (CID 166290413) is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid is CC1(C)CCCN1C(=O)N(CCC(=O)O)Cc1cccnc1.
What is the InChIKey of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid?
The InChIKey is GVFQEFNWEXDEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2)7-4-9-19(16)15(22)18(10-6-14(20)21)12-13-5-3-8-17-11-13/h3,5,8,11H,4,6-7,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid?
3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid has a molecular weight of 305.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 166290413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).