methyl 2-amino-2-benzyl-3-phenylpropanoate

C17H19NO2 — CID 10825855

IUPACmethyl 2-amino-2-benzyl-3-phenylpropanoate
SMILESCOC(=O)C(N)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-16(19)17(18,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3
InChIKeyINZREICDVRSJDB-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.34
Rot. Bonds5

About methyl 2-amino-2-benzyl-3-phenylpropanoate

methyl 2-amino-2-benzyl-3-phenylpropanoate (PubChem CID 10825855) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-amino-2-benzyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-benzyl-3-phenylpropanoate
PubChem CID10825855
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-amino-2-benzyl-3-phenylpropanoate
SMILESCOC(=O)C(N)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-16(19)17(18,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3
InChIKeyINZREICDVRSJDB-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-2-benzyl-3-phenylpropanoate 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

dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
methyl (2S)-2-amino-2-benzyl-3,3-difluoropropanoate;hydrochloride
CID 66973368
methyl (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 10922854
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
methyl (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
ethyl 2-amino-2-benzylbutanoate
CID 10857051
(2-methylpropan-2-yl)oxycarbonyl 2-amino-2-benzyl-3-phenylpropanoate
CID 19011409
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
ethyl (2S)-2-amino-2-benzyl-3-hydroxypropanoate
CID 10987872
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-benzyl-3-phenylpropanoate?
The IUPAC name of methyl 2-amino-2-benzyl-3-phenylpropanoate (CID 10825855) is methyl 2-amino-2-benzyl-3-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-2-benzyl-3-phenylpropanoate?
The canonical SMILES for methyl 2-amino-2-benzyl-3-phenylpropanoate is COC(=O)C(N)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-amino-2-benzyl-3-phenylpropanoate?
The InChIKey is INZREICDVRSJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-16(19)17(18,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3.
What are the key properties of methyl 2-amino-2-benzyl-3-phenylpropanoate?
methyl 2-amino-2-benzyl-3-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-benzyl-3-phenylpropanoate is sourced from PubChem (CID 10825855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).