2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid

C13H20N2O2 — CID 115430164

IUPAC2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNc1ccncc1C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)9-15-11-6-7-14-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQEYFUCAHNGQROW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds6

About 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid

2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid (PubChem CID 115430164) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
PubChem CID115430164
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNc1ccncc1C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)9-15-11-6-7-14-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQEYFUCAHNGQROW-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
CID 65110464
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 106141575
2-[[(3-bromopyridine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533259
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
2-[[(6-chloropyridazin-3-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430117
2-hydroxy-3-[(3-methyl-4-pyridinyl)amino]propanamide
CID 106170708
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
CID 63671711

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid (CID 115430164) is 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid is CCC(CC)(CNc1ccncc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
The InChIKey is QEYFUCAHNGQROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)9-15-11-6-7-14-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid is sourced from PubChem (CID 115430164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).