2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid

C19H23NO4 — CID 70339310

IUPAC2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-18(2,3)24-17(23)19(20,16(21)22)11-10-13-8-9-14-6-4-5-7-15(14)12-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22)
InChIKeyPHGCUJJEWUHYNP-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid

2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid (PubChem CID 70339310) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid
PubChem CID70339310
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-18(2,3)24-17(23)19(20,16(21)22)11-10-13-8-9-14-6-4-5-7-15(14)12-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22)
InChIKeyPHGCUJJEWUHYNP-UHFFFAOYSA-N
XLogP2.90
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.90
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

methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoate
CID 140983223
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate
CID 142626450
2,7-diamino-2,7-bis[(2-methylpropan-2-yl)oxycarbonyl]octanedioic acid
CID 154136395
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
4-O-tert-butyl 1-O-methyl 2-amino-2-(3-naphthalen-2-ylpropylamino)butanedioate
CID 142686008
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
2-amino-5,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 151039788
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
tert-butyl (2S)-2-amino-2-benzyl-3-oxobutanoate
CID 102233741
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986413

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid?
The IUPAC name of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid (CID 70339310) is 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid?
The canonical SMILES for 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid is CC(C)(C)OC(=O)C(N)(CCc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid?
The InChIKey is PHGCUJJEWUHYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-18(2,3)24-17(23)19(20,16(21)22)11-10-13-8-9-14-6-4-5-7-15(14)12-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid?
2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 70339310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).