methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate

C13H18N2O3 — CID 62668946

IUPACmethyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C(C)CN)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-9(8-14)12(16)15-11(13(17)18-2)10-6-4-3-5-7-10/h3-7,9,11H,8,14H2,1-2H3,(H,15,16)
InChIKeyBKUBPRIULRCERP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate

methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate (PubChem CID 62668946) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
PubChem CID62668946
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C(C)CN)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-9(8-14)12(16)15-11(13(17)18-2)10-6-4-3-5-7-10/h3-7,9,11H,8,14H2,1-2H3,(H,15,16)
InChIKeyBKUBPRIULRCERP-UHFFFAOYSA-N
XLogP0.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate 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

(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
methyl 2-(2-methylsulfonylpropanoylamino)-2-phenylacetate
CID 115624418
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
3-amino-N-(2-ethyl-1-phenylbutyl)-2-methylpropanamide
CID 62669442
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate (CID 62668946) is methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)C(C)CN)c1ccccc1.
What is the InChIKey of methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate?
The InChIKey is BKUBPRIULRCERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(8-14)12(16)15-11(13(17)18-2)10-6-4-3-5-7-10/h3-7,9,11H,8,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate?
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate has a molecular weight of 250.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate is sourced from PubChem (CID 62668946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).