methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate

C13H17NO5 — CID 103957951

IUPACmethyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)COCc1ccccc1
InChIInChI=1S/C13H17NO5/c1-18-13(17)11(15)7-14-12(16)9-19-8-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16)
InChIKeyHVFMRQLYTWMHDR-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.15
Rot. Bonds7

About methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate

methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate (PubChem CID 103957951) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
PubChem CID103957951
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)COCc1ccccc1
InChIInChI=1S/C13H17NO5/c1-18-13(17)11(15)7-14-12(16)9-19-8-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16)
InChIKeyHVFMRQLYTWMHDR-UHFFFAOYSA-N
XLogP-0.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
methyl 2-phenoxy-2-[(2-phenylmethoxyacetyl)amino]acetate
CID 91163691
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
methyl 2-hydroxy-3-[(3-phenyl-2-sulfanylidenepropanethioyl)amino]propanoate
CID 54510492
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-butyl-2-phenylmethoxyacetamide
CID 126717674
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate (CID 103957951) is methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate is COC(=O)C(O)CNC(=O)COCc1ccccc1.
What is the InChIKey of methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate?
The InChIKey is HVFMRQLYTWMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-13(17)11(15)7-14-12(16)9-19-8-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16).
What are the key properties of methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate?
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate is sourced from PubChem (CID 103957951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).