methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate

C15H22N2O4 — CID 100956994

IUPACmethyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN(C)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(15(20)12-7-5-4-6-8-12)17(2)10-13(18)16-9-14(19)21-3/h4-8,11,15,20H,9-10H2,1-3H3,(H,16,18)/t11-,15-/m0/s1
InChIKeyBWBJFLAOSRJIEC-NHYWBVRUSA-N
MW294.35 g/mol
LogP0.33
Rot. Bonds7

About methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate

methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate (PubChem CID 100956994) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate
PubChem CID100956994
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN(C)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(15(20)12-7-5-4-6-8-12)17(2)10-13(18)16-9-14(19)21-3/h4-8,11,15,20H,9-10H2,1-3H3,(H,16,18)/t11-,15-/m0/s1
InChIKeyBWBJFLAOSRJIEC-NHYWBVRUSA-N
XLogP0.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]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

2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
CID 26416444
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 98083173
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314
methyl (3R,4R)-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-3,4-diphenylpentanoate
CID 12025473
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
CID 46900882
N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 111471683
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate (CID 100956994) is methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate is COC(=O)CNC(=O)CN(C)[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate?
The InChIKey is BWBJFLAOSRJIEC-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(15(20)12-7-5-4-6-8-12)17(2)10-13(18)16-9-14(19)21-3/h4-8,11,15,20H,9-10H2,1-3H3,(H,16,18)/t11-,15-/m0/s1.
What are the key properties of methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate?
methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate has a molecular weight of 294.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate is sourced from PubChem (CID 100956994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).