2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid

C13H17NO5 — CID 106107823

IUPAC2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
SMILESCOC(CNC(=O)COCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO5/c1-18-11(13(16)17)7-14-12(15)9-19-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyLIVBEVGCZJHVKF-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.42
Rot. Bonds8

About 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid

2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid (PubChem CID 106107823) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
PubChem CID106107823
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
SMILESCOC(CNC(=O)COCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO5/c1-18-11(13(16)17)7-14-12(15)9-19-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyLIVBEVGCZJHVKF-UHFFFAOYSA-N
XLogP0.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid
CID 134423784
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
N-butyl-2-phenylmethoxyacetamide
CID 126717674
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
3-[3-(4-aminophenyl)propanoylamino]-2-methoxypropanoic acid
CID 106108939
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
3-(furan-2-carbonylamino)-2-methoxypropanoic acid
CID 106108034
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid (CID 106107823) is 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid is COC(CNC(=O)COCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
The InChIKey is LIVBEVGCZJHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-11(13(16)17)7-14-12(15)9-19-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 106107823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).