(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid

C19H23NO4 — CID 29416205

IUPAC(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)[C@H](c1cccc2ccccc12)[C@@H](N)CC(=O)O
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(23)17(15(20)11-16(21)22)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,11,20H2,1-3H3,(H,21,22)/t15-,17+/m0/s1
InChIKeyIEZVXRJLMVCTRY-DOTOQJQBSA-N
MW329.40 g/mol
LogP3.07
Rot. Bonds5

About (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid

(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid (PubChem CID 29416205) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid
PubChem CID29416205
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)[C@H](c1cccc2ccccc12)[C@@H](N)CC(=O)O
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(23)17(15(20)11-16(21)22)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,11,20H2,1-3H3,(H,21,22)/t15-,17+/m0/s1
InChIKeyIEZVXRJLMVCTRY-DOTOQJQBSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 29416174
(3S,4S)-3-amino-4-(2-fluorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 95170386
(2R)-2-[amino(naphthalen-1-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57350241
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
(3R,4R)-3-amino-4-(3,4-dichlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 29416345
3-naphthalen-1-ylbutanoic acid
CID 43211329
(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176246
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176242
tert-butyl (3R)-3-(benzylamino)-3-naphthalen-1-ylpropanoate
CID 101235687
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 102204031
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid?
The IUPAC name of (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid (CID 29416205) is (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid.
What is the SMILES notation for (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid?
The canonical SMILES for (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid is CC(C)(C)OC(=O)[C@H](c1cccc2ccccc12)[C@@H](N)CC(=O)O.
What is the InChIKey of (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid?
The InChIKey is IEZVXRJLMVCTRY-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)17(15(20)11-16(21)22)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,11,20H2,1-3H3,(H,21,22)/t15-,17+/m0/s1.
What are the key properties of (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid?
(3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-5-[(2-methylpropan-2-yl)oxy]-4-naphthalen-1-yl-5-oxopentanoic acid is sourced from PubChem (CID 29416205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).