methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate

C16H24N2O3 — CID 103954829

IUPACmethyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)10-13(14(19)21-4)18-15(20)16(3,17)12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)/t13-,16?/m0/s1
InChIKeyUCFNHALCZKLUCB-KNVGNIICSA-N
MW292.38 g/mol
LogP1.56
Rot. Bonds6

About methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate

methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate (PubChem CID 103954829) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
PubChem CID103954829
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)10-13(14(19)21-4)18-15(20)16(3,17)12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)/t13-,16?/m0/s1
InChIKeyUCFNHALCZKLUCB-KNVGNIICSA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-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

(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
CID 142662042
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
CID 163211996
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate (CID 103954829) is methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate?
The InChIKey is UCFNHALCZKLUCB-KNVGNIICSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)10-13(14(19)21-4)18-15(20)16(3,17)12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)/t13-,16?/m0/s1.
What are the key properties of methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate?
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 103954829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).