tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate

C14H20N2O3 — CID 67006160

IUPACtert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-11(17)9-16-13(18)12(15)10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyZCERGRXTTGLHFZ-GFCCVEGCSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds4

About tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate

tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate (PubChem CID 67006160) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
PubChem CID67006160
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-11(17)9-16-13(18)12(15)10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyZCERGRXTTGLHFZ-GFCCVEGCSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-2-phenylacetamide
CID 22262703
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
(2R)-2-amino-N-(3-methoxy-2,2-dimethylpropyl)-2-phenylacetamide
CID 56861248
benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
1-O-benzhydryl 3-O-tert-butyl propanedioate
CID 71746700
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate (CID 67006160) is tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate?
The InChIKey is ZCERGRXTTGLHFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-11(17)9-16-13(18)12(15)10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate?
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate is sourced from PubChem (CID 67006160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).