2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid

C18H21NO4 — CID 57376493

IUPAC2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C(c1ccc2ccccc2c1)C(N)C(=O)O
InChIInChI=1S/C18H21NO4/c1-18(2,3)23-17(22)14(15(19)16(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,19H2,1-3H3,(H,20,21)
InChIKeyRAAOJBPMIFSDGA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid

2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid (PubChem CID 57376493) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
PubChem CID57376493
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)C(c1ccc2ccccc2c1)C(N)C(=O)O
InChIInChI=1S/C18H21NO4/c1-18(2,3)23-17(22)14(15(19)16(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,19H2,1-3H3,(H,20,21)
InChIKeyRAAOJBPMIFSDGA-UHFFFAOYSA-N
XLogP2.68
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 68676560
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
(4S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-4-(naphthalen-2-ylsulfanylmethyl)-5-oxopentanoic acid
CID 67898122
4-O-tert-butyl 1-O-methyl 2-amino-3-phenylbutanedioate
CID 78069765
2-[(2R)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-naphthalen-2-yl-3-oxopropan-2-yl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 174392175
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711
tert-butyl (2S,3S)-2-azido-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 100995145
3-amino-3-methyl-2-naphthalen-2-ylbutanoic acid;hydrochloride
CID 70202945
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylsulfanylpropanoic acid
CID 54317940

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid (CID 57376493) is 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid is CC(C)(C)OC(=O)C(c1ccc2ccccc2c1)C(N)C(=O)O.
What is the InChIKey of 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid?
The InChIKey is RAAOJBPMIFSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)14(15(19)16(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid?
2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-methylpropan-2-yl)oxy]-3-naphthalen-2-yl-4-oxobutanoic acid is sourced from PubChem (CID 57376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).