2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C14H19NO5 — CID 129319861

IUPAC2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCOc1cccc(C(N)(C(=O)O)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H19NO5/c1-13(2,3)20-12(18)14(15,11(16)17)9-6-5-7-10(8-9)19-4/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyZUTXSOVDUZICEC-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 129319861) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID129319861
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCOc1cccc(C(N)(C(=O)O)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H19NO5/c1-13(2,3)20-12(18)14(15,11(16)17)9-6-5-7-10(8-9)19-4/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyZUTXSOVDUZICEC-UHFFFAOYSA-N
XLogP1.28
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393509
3-amino-3-(3-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91405046
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
tert-butyl 2-hydroxy-2-(3-methoxyphenyl)-3-oxobutanoate
CID 122212187
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 129319861) is 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is COc1cccc(C(N)(C(=O)O)C(=O)OC(C)(C)C)c1.
What is the InChIKey of 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is ZUTXSOVDUZICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-13(2,3)20-12(18)14(15,11(16)17)9-6-5-7-10(8-9)19-4/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 129319861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).