2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C15H20N2O5 — CID 68620555

IUPAC2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCC(=O)Nc1ccc(C(N)(C(=O)O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20N2O5/c1-9(18)17-11-7-5-10(6-8-11)15(16,12(19)20)13(21)22-14(2,3)4/h5-8H,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyGHIQHSQRNVZMED-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.23
Rot. Bonds4

About 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 68620555) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID68620555
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCC(=O)Nc1ccc(C(N)(C(=O)O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20N2O5/c1-9(18)17-11-7-5-10(6-8-11)15(16,12(19)20)13(21)22-14(2,3)4/h5-8H,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyGHIQHSQRNVZMED-UHFFFAOYSA-N
XLogP1.23
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
3-O-tert-butyl 1-O-methyl 2-amino-2-(4-hydroxyphenyl)propanedioate
CID 68717374
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
2-[4-[2-amino-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]phenyl]acetic acid
CID 57082417
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
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
N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
CID 51064300
3-(4-acetamidoanilino)-2,2-dimethylpropanoic acid
CID 79629806
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
CID 114290300
2-[4-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 119254104
ditert-butyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3249136

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 68620555) is 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is CC(=O)Nc1ccc(C(N)(C(=O)O)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is GHIQHSQRNVZMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9(18)17-11-7-5-10(6-8-11)15(16,12(19)20)13(21)22-14(2,3)4/h5-8H,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 68620555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).