methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate

C15H22N2O3 — CID 106312267

IUPACmethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C(N)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)13(15(19)20-4)17-14(18)12(16)11-7-5-10(3)6-8-11/h5-9,12-13H,16H2,1-4H3,(H,17,18)
InChIKeyVZZZMHVNKKAQNH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate

methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate (PubChem CID 106312267) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate
PubChem CID106312267
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C(N)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)13(15(19)20-4)17-14(18)12(16)11-7-5-10(3)6-8-11/h5-9,12-13H,16H2,1-4H3,(H,17,18)
InChIKeyVZZZMHVNKKAQNH-UHFFFAOYSA-N
XLogP1.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate 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-amino-N-(1,1-dimethoxypropan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312416
methyl (2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-4-methylpentanoate
CID 106312676
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 106312699
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
methyl 3-methyl-2-[[2-(4-methylanilino)-2-oxoacetyl]amino]butanoate
CID 43623171
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
2-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668651

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate (CID 106312267) is methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate is COC(=O)C(NC(=O)C(N)c1ccc(C)cc1)C(C)C.
What is the InChIKey of methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate?
The InChIKey is VZZZMHVNKKAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)13(15(19)20-4)17-14(18)12(16)11-7-5-10(3)6-8-11/h5-9,12-13H,16H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate?
methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate has a molecular weight of 278.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 106312267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).