3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid

C15H23N3O3 — CID 61196298

IUPAC3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCc1ccccn1)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-15(2,3)12(13(19)20)17-14(21)18(4)10-8-11-7-5-6-9-16-11/h5-7,9,12H,8,10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyJDKPPVJESVURPE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.76
Rot. Bonds5

About 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid

3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid (PubChem CID 61196298) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
PubChem CID61196298
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCc1ccccn1)C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-15(2,3)12(13(19)20)17-14(21)18(4)10-8-11-7-5-6-9-16-11/h5-7,9,12H,8,10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyJDKPPVJESVURPE-UHFFFAOYSA-N
XLogP1.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]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

ethyl 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-3-phenylbutanoate
CID 15018148
(2R)-4-amino-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826008
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 111507290
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid (CID 61196298) is 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid is CN(CCc1ccccn1)C(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is JDKPPVJESVURPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)12(13(19)20)17-14(21)18(4)10-8-11-7-5-6-9-16-11/h5-7,9,12H,8,10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid?
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61196298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).