2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid

C13H17NO5 — CID 66174585

IUPAC2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)COCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO5/c1-13(18,12(16)17)9-14-11(15)8-19-7-10-5-3-2-4-6-10/h2-6,18H,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyBTLMIIULBCUBJJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.16
Rot. Bonds7

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

2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid (PubChem CID 66174585) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
PubChem CID66174585
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)COCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO5/c1-13(18,12(16)17)9-14-11(15)8-19-7-10-5-3-2-4-6-10/h2-6,18H,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyBTLMIIULBCUBJJ-UHFFFAOYSA-N
XLogP0.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 66174192
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylmethoxyacetamide
CID 121018436
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
2-hydroxy-2-methyl-3-oxo-4-phenylmethoxybutanoic acid
CID 175175859
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid (CID 66174585) is 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid is CC(O)(CNC(=O)COCc1ccccc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
The InChIKey is BTLMIIULBCUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-13(18,12(16)17)9-14-11(15)8-19-7-10-5-3-2-4-6-10/h2-6,18H,7-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 66174585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).