(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid

C15H24N2O2 — CID 167982812

IUPAC(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid
SMILESCC[C@H](C(=O)O)N(C)Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-6-13(14(18)19)17(5)10-11-7-12(9-16-8-11)15(2,3)4/h7-9,13H,6,10H2,1-5H3,(H,18,19)/t13-/m1/s1
InChIKeyWHGAIHHQJNXOAW-CYBMUJFWSA-N
MW264.37 g/mol
LogP2.67
Rot. Bonds5

About (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid

(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid (PubChem CID 167982812) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid
PubChem CID167982812
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid
SMILESCC[C@H](C(=O)O)N(C)Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-6-13(14(18)19)17(5)10-11-7-12(9-16-8-11)15(2,3)4/h7-9,13H,6,10H2,1-5H3,(H,18,19)/t13-/m1/s1
InChIKeyWHGAIHHQJNXOAW-CYBMUJFWSA-N
XLogP2.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-tert-butyl-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 167862524
2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 65068399
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
N-[(5-tert-butyl-3-pyridinyl)methyl]-2-hydroxy-N-propan-2-ylethanesulfonamide
CID 167759061
(2S)-2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]butanoic acid
CID 166302035
(2S)-2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanoic acid
CID 125118009
2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
CID 65068255
(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 125443485
2-[(2,4-dihydroxyphenyl)methyl-methylamino]butanoic acid
CID 65067634
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
(4S)-4-amino-1-(5-tert-butyl-3-pyridinyl)-5-methylhexan-3-one
CID 162143785
2-[(2,6-difluorophenyl)methyl-methylamino]butanoic acid
CID 65068207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid?
The IUPAC name of (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid (CID 167982812) is (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid is CC[C@H](C(=O)O)N(C)Cc1cncc(C(C)(C)C)c1.
What is the InChIKey of (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid?
The InChIKey is WHGAIHHQJNXOAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-13(14(18)19)17(5)10-11-7-12(9-16-8-11)15(2,3)4/h7-9,13H,6,10H2,1-5H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid?
(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 167982812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).