2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid

C15H18N2O2 — CID 79791371

IUPAC2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
SMILESCCC(C)(NCc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-3-15(2,14(18)19)17-10-11-8-9-16-13-7-5-4-6-12(11)13/h4-9,17H,3,10H2,1-2H3,(H,18,19)
InChIKeyPXJSNZLXLYXQII-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.58
Rot. Bonds5

About 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid

2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid (PubChem CID 79791371) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
PubChem CID79791371
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
SMILESCCC(C)(NCc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-3-15(2,14(18)19)17-10-11-8-9-16-13-7-5-4-6-12(11)13/h4-9,17H,3,10H2,1-2H3,(H,18,19)
InChIKeyPXJSNZLXLYXQII-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
ethyl 2-(quinolin-4-ylmethylamino)acetate
CID 55251513
N-(quinolin-4-ylmethyl)aniline
CID 57199115
2-ethyl-2-(quinolin-4-ylamino)butanoic acid
CID 79807189
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
1-quinolin-4-ylbutan-2-one
CID 15695851
N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
3-ethoxy-3-ethyl-1-quinolin-4-ylpentan-2-one
CID 116747331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid (CID 79791371) is 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid is CCC(C)(NCc1ccnc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid?
The InChIKey is PXJSNZLXLYXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-15(2,14(18)19)17-10-11-8-9-16-13-7-5-4-6-12(11)13/h4-9,17H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid?
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid is sourced from PubChem (CID 79791371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).