2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid

C17H27N3O2 — CID 122128887

IUPAC2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
SMILESCCC(CC)(CNCc1ccc(N2CCCC2)nc1)C(=O)O
InChIInChI=1S/C17H27N3O2/c1-3-17(4-2,16(21)22)13-18-11-14-7-8-15(19-12-14)20-9-5-6-10-20/h7-8,12,18H,3-6,9-11,13H2,1-2H3,(H,21,22)
InChIKeyQQUKZGGFGRONEP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.66
Rot. Bonds8

About 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid

2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid (PubChem CID 122128887) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
PubChem CID122128887
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
SMILESCCC(CC)(CNCc1ccc(N2CCCC2)nc1)C(=O)O
InChIInChI=1S/C17H27N3O2/c1-3-17(4-2,16(21)22)13-18-11-14-7-8-15(19-12-14)20-9-5-6-10-20/h7-8,12,18H,3-6,9-11,13H2,1-2H3,(H,21,22)
InChIKeyQQUKZGGFGRONEP-UHFFFAOYSA-N
XLogP2.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid with MolForge

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Related Compounds

2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
2-ethyl-2-[[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]methyl]butanoic acid
CID 122128913
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
CID 75426168
2-[[[2-(dimethylamino)pyrimidin-5-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122128987
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid (CID 122128887) is 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid is CCC(CC)(CNCc1ccc(N2CCCC2)nc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid?
The InChIKey is QQUKZGGFGRONEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-17(4-2,16(21)22)13-18-11-14-7-8-15(19-12-14)20-9-5-6-10-20/h7-8,12,18H,3-6,9-11,13H2,1-2H3,(H,21,22).
What are the key properties of 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid?
2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid is sourced from PubChem (CID 122128887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).