2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid

C24H25NO4 — CID 69081541

IUPAC2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc2ccccc2c1O[C@H](C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO4/c1-16(12-13-18-8-4-3-5-9-18)29-22-20-11-7-6-10-19(20)14-15-21(22)23(26)25-17(2)24(27)28/h3-11,14-17H,12-13H2,1-2H3,(H,25,26)(H,27,28)/t16-,17?/m1/s1
InChIKeyNRGXSQCVTHBVSX-TZHYSIJRSA-N
MW391.47 g/mol
LogP4.44
Rot. Bonds8

About 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid

2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid (PubChem CID 69081541) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
PubChem CID69081541
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc2ccccc2c1O[C@H](C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO4/c1-16(12-13-18-8-4-3-5-9-18)29-22-20-11-7-6-10-19(20)14-15-21(22)23(26)25-17(2)24(27)28/h3-11,14-17H,12-13H2,1-2H3,(H,25,26)(H,27,28)/t16-,17?/m1/s1
InChIKeyNRGXSQCVTHBVSX-TZHYSIJRSA-N
XLogP4.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 69079313
1-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 24769442
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
CID 66701306
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 77473542
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468190
3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 69077665
2-methyl-2-[[1-[(2R)-1-phenoxypropan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 24769568
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-[[2-[formyl(hydroxy)amino]-4-phenylbutanoyl]amino]propanoic acid
CID 88710430

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid (CID 69081541) is 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid is CC(NC(=O)c1ccc2ccccc2c1O[C@H](C)CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
The InChIKey is NRGXSQCVTHBVSX-TZHYSIJRSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16(12-13-18-8-4-3-5-9-18)29-22-20-11-7-6-10-19(20)14-15-21(22)23(26)25-17(2)24(27)28/h3-11,14-17H,12-13H2,1-2H3,(H,25,26)(H,27,28)/t16-,17?/m1/s1.
What are the key properties of 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid has a molecular weight of 391.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 69081541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).