methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate

C14H20N2O3 — CID 61164332

IUPACmethyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)[C@H](N)c1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-10(2)16(9-12(17)19-3)14(18)13(15)11-7-5-4-6-8-11/h4-8,10,13H,9,15H2,1-3H3/t13-/m1/s1
InChIKeyUWXGTDOVVIFKNV-CYBMUJFWSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds5

About methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate

methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate (PubChem CID 61164332) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
PubChem CID61164332
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)[C@H](N)c1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-10(2)16(9-12(17)19-3)14(18)13(15)11-7-5-4-6-8-11/h4-8,10,13H,9,15H2,1-3H3/t13-/m1/s1
InChIKeyUWXGTDOVVIFKNV-CYBMUJFWSA-N
XLogP1.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 115290159
methyl 2-[3-phenylsulfanylpropanoyl(propan-2-yl)amino]acetate
CID 60767024
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
CID 78878003
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-propan-2-ylamino]acetate
CID 61158556
methyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]-propan-2-ylamino]acetate
CID 61164140
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate (CID 61164332) is methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)[C@H](N)c1ccccc1)C(C)C.
What is the InChIKey of methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate?
The InChIKey is UWXGTDOVVIFKNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)16(9-12(17)19-3)14(18)13(15)11-7-5-4-6-8-11/h4-8,10,13H,9,15H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate?
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61164332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).