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

C17H19NO4 — CID 57348993

IUPAC2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
SMILESCC(C)(C)OC(=O)C(N)(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO4/c1-16(2,3)22-15(21)17(18,14(19)20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,18H2,1-3H3,(H,19,20)
InChIKeyGRTIWXOUDYZSPH-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.42
Rot. Bonds3

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

2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid (PubChem CID 57348993) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
PubChem CID57348993
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
SMILESCC(C)(C)OC(=O)C(N)(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO4/c1-16(2,3)22-15(21)17(18,14(19)20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,18H2,1-3H3,(H,19,20)
InChIKeyGRTIWXOUDYZSPH-UHFFFAOYSA-N
XLogP2.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 129319861
(2S)-2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393509
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
(2S)-2-amino-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 97304467
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid
CID 70339310
2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 68620555
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
tert-butyl 2-amino-3-oxo-2-phenylpropanoate
CID 154963550
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid?
The IUPAC name of 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid (CID 57348993) is 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid?
The canonical SMILES for 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid is CC(C)(C)OC(=O)C(N)(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid?
The InChIKey is GRTIWXOUDYZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-16(2,3)22-15(21)17(18,14(19)20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid?
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid is sourced from PubChem (CID 57348993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).