methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate

C14H20N2O3 — CID 119326915

IUPACmethyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19-3)9-16-12(17)11(15)10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3,(H,16,17)
InChIKeyDBSCPZNRUNRXTQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.00
Rot. Bonds5

About methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate

methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate (PubChem CID 119326915) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
PubChem CID119326915
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19-3)9-16-12(17)11(15)10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3,(H,16,17)
InChIKeyDBSCPZNRUNRXTQ-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-methoxy-2,2-dimethylpropyl)-2-phenylacetamide
CID 56861248
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide;hydrochloride
CID 119345467
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-amino-N-(4-hydroxy-2,2-dimethylpentyl)-2-phenylacetamide;hydrochloride
CID 119334689
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate (CID 119326915) is methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)C(N)c1ccccc1.
What is the InChIKey of methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate?
The InChIKey is DBSCPZNRUNRXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,13(18)19-3)9-16-12(17)11(15)10-7-5-4-6-8-10/h4-8,11H,9,15H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 119326915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).