2-methylpropyl (2R)-2-amino-2-phenylacetate

C12H17NO2 — CID 61278245

IUPAC2-methylpropyl (2R)-2-amino-2-phenylacetate
SMILESCC(C)COC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1
InChIKeyULHZNKSOWHFWOU-LLVKDONJSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds4

About 2-methylpropyl (2R)-2-amino-2-phenylacetate

2-methylpropyl (2R)-2-amino-2-phenylacetate (PubChem CID 61278245) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methylpropyl (2R)-2-amino-2-phenylacetate.

Molecular Properties

Compound Name2-methylpropyl (2R)-2-amino-2-phenylacetate
PubChem CID61278245
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methylpropyl (2R)-2-amino-2-phenylacetate
SMILESCC(C)COC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1
InChIKeyULHZNKSOWHFWOU-LLVKDONJSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl (2R)-2-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

2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
CID 104898288
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
butan-2-yl 2-amino-2-phenylacetate;hydrochloride
CID 139951083
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
2-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
2-methylpropyl (3R)-4-amino-3-phenylbutanoate
CID 2057331
2-phenylpropyl 2-methylpropanoate
CID 576240
2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate
CID 90967259
2-methylpropyl 3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18515031

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2R)-2-amino-2-phenylacetate?
The IUPAC name of 2-methylpropyl (2R)-2-amino-2-phenylacetate (CID 61278245) is 2-methylpropyl (2R)-2-amino-2-phenylacetate.
What is the SMILES notation for 2-methylpropyl (2R)-2-amino-2-phenylacetate?
The canonical SMILES for 2-methylpropyl (2R)-2-amino-2-phenylacetate is CC(C)COC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of 2-methylpropyl (2R)-2-amino-2-phenylacetate?
The InChIKey is ULHZNKSOWHFWOU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-methylpropyl (2R)-2-amino-2-phenylacetate?
2-methylpropyl (2R)-2-amino-2-phenylacetate has a molecular weight of 207.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2R)-2-amino-2-phenylacetate is sourced from PubChem (CID 61278245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).