2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid

C15H21N3O3 — CID 65302404

IUPAC2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
SMILESCC(C)(CC(=O)Nc1ccc(N2CCCC2)nc1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-15(2,14(20)21)9-13(19)17-11-5-6-12(16-10-11)18-7-3-4-8-18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyCTJGHJZYDGGQKG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.12
Rot. Bonds5

About 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid

2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid (PubChem CID 65302404) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
PubChem CID65302404
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
SMILESCC(C)(CC(=O)Nc1ccc(N2CCCC2)nc1)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-15(2,14(20)21)9-13(19)17-11-5-6-12(16-10-11)18-7-3-4-8-18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyCTJGHJZYDGGQKG-UHFFFAOYSA-N
XLogP2.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 63679043
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 111750289
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid (CID 65302404) is 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid is CC(C)(CC(=O)Nc1ccc(N2CCCC2)nc1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid?
The InChIKey is CTJGHJZYDGGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,14(20)21)9-13(19)17-11-5-6-12(16-10-11)18-7-3-4-8-18/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid?
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 65302404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).