methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate

C16H24N2O3 — CID 90694166

IUPACmethyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate
SMILESCCC(C)[C@@H](NC(=O)c1cc(C)c(N)c(C)c1)C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-6-9(2)14(16(20)21-5)18-15(19)12-7-10(3)13(17)11(4)8-12/h7-9,14H,6,17H2,1-5H3,(H,18,19)/t9?,14-/m1/s1
InChIKeyRMRHDGARZDAXTQ-IWSPRGBSSA-N
MW292.38 g/mol
LogP2.20
Rot. Bonds5

About methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate

methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate (PubChem CID 90694166) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate
PubChem CID90694166
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate
SMILESCCC(C)[C@@H](NC(=O)c1cc(C)c(N)c(C)c1)C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-6-9(2)14(16(20)21-5)18-15(19)12-7-10(3)13(17)11(4)8-12/h7-9,14H,6,17H2,1-5H3,(H,18,19)/t9?,14-/m1/s1
InChIKeyRMRHDGARZDAXTQ-IWSPRGBSSA-N
XLogP2.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate 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

methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylpentanoate
CID 112791620
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]pentanoate
CID 20624112
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-hydroxypropanoate
CID 20624102
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080
methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylsulfanylpropanoate
CID 59949684
methyl (2S)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-4-methoxybutanoate
CID 59948534
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
methyl 3-hydroxy-2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]butanoate
CID 18734716
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 103706697

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate (CID 90694166) is methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate is CCC(C)[C@@H](NC(=O)c1cc(C)c(N)c(C)c1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate?
The InChIKey is RMRHDGARZDAXTQ-IWSPRGBSSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-9(2)14(16(20)21-5)18-15(19)12-7-10(3)13(17)11(4)8-12/h7-9,14H,6,17H2,1-5H3,(H,18,19)/t9?,14-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate?
methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 90694166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).