methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate

C12H16N2O3 — CID 93373727

IUPACmethyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-14(8-10(15)17-2)12(16)11(13)9-6-4-3-5-7-9/h3-7,11H,8,13H2,1-2H3/t11-/m0/s1
InChIKeyRREQWJGSAPILRV-NSHDSACASA-N
MW236.27 g/mol
LogP0.32
Rot. Bonds4

About methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate

methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate (PubChem CID 93373727) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
PubChem CID93373727
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-14(8-10(15)17-2)12(16)11(13)9-6-4-3-5-7-9/h3-7,11H,8,13H2,1-2H3/t11-/m0/s1
InChIKeyRREQWJGSAPILRV-NSHDSACASA-N
XLogP0.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate 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

methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
CID 42192377
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate (CID 93373727) is methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate?
The InChIKey is RREQWJGSAPILRV-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(8-10(15)17-2)12(16)11(13)9-6-4-3-5-7-9/h3-7,11H,8,13H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate?
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate has a molecular weight of 236.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate is sourced from PubChem (CID 93373727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).