2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid

C16H24N2O3 — CID 60950477

IUPAC2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(c1ccncc1)N(C)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)16(4,15(20)21)10-14(19)18(5)12(3)13-6-8-17-9-7-13/h6-9,11-12H,10H2,1-5H3,(H,20,21)
InChIKeyBJYPQHQRHFHQJC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 60950477) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID60950477
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(c1ccncc1)N(C)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)16(4,15(20)21)10-14(19)18(5)12(3)13-6-8-17-9-7-13/h6-9,11-12H,10H2,1-5H3,(H,20,21)
InChIKeyBJYPQHQRHFHQJC-UHFFFAOYSA-N
XLogP2.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic 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

2-methyl-4-[methyl(1-phenylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43579990
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
2-methyl-4-[methyl-[1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950012
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 94347343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid (CID 60950477) is 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid is CC(c1ccncc1)N(C)C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is BJYPQHQRHFHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)16(4,15(20)21)10-14(19)18(5)12(3)13-6-8-17-9-7-13/h6-9,11-12H,10H2,1-5H3,(H,20,21).
What are the key properties of 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 60950477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).