2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid

C13H20N2O2 — CID 114990218

IUPAC2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid
SMILESCCC(CC)(C(=O)O)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)15(3)10-11-6-8-14-9-7-11/h6-9H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyQXTLADRJTJHPSU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds6

About 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid

2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid (PubChem CID 114990218) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid
PubChem CID114990218
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid
SMILESCCC(CC)(C(=O)O)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)15(3)10-11-6-8-14-9-7-11/h6-9H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyQXTLADRJTJHPSU-UHFFFAOYSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
2,2-diethyl-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 43564268
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid
CID 106934627
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
methyl(pyridin-4-yl)carbamic acid
CID 54205463
2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid
CID 114990051
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid (CID 114990218) is 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid is CCC(CC)(C(=O)O)N(C)Cc1ccncc1.
What is the InChIKey of 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid?
The InChIKey is QXTLADRJTJHPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)15(3)10-11-6-8-14-9-7-11/h6-9H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid?
2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 114990218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).