3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid

C15H23N3O2 — CID 82310027

IUPAC3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H23N3O2/c1-12(2)18(10-7-15(19)20)13-5-6-14(16-11-13)17-8-3-4-9-17/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyUCPDUGYBWNAETO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.37
Rot. Bonds6

About 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid

3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid (PubChem CID 82310027) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid
PubChem CID82310027
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H23N3O2/c1-12(2)18(10-7-15(19)20)13-5-6-14(16-11-13)17-8-3-4-9-17/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyUCPDUGYBWNAETO-UHFFFAOYSA-N
XLogP2.37
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid
CID 95508657
4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119357395
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
CID 83888261
2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid
CID 82309686
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
3-[methyl-[1-(5-nitro-2-pyridinyl)piperidine-3-carbonyl]amino]propanoic acid
CID 82033164
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid (CID 82310027) is 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid is CC(C)N(CCC(=O)O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid?
The InChIKey is UCPDUGYBWNAETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)18(10-7-15(19)20)13-5-6-14(16-11-13)17-8-3-4-9-17/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid?
3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid has a molecular weight of 277.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 82310027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).