3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid

C30H28FNO4 — CID 69079313

IUPAC3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
SMILESC[C@@H](CCc1ccccc1)Oc1c(C(=O)NC(Cc2ccc(F)cc2)C(=O)O)ccc2ccccc12
InChIInChI=1S/C30H28FNO4/c1-20(11-12-21-7-3-2-4-8-21)36-28-25-10-6-5-9-23(25)15-18-26(28)29(33)32-27(30(34)35)19-22-13-16-24(31)17-14-22/h2-10,13-18,20,27H,11-12,19H2,1H3,(H,32,33)(H,34,35)/t20-,27?/m0/s1
InChIKeyCSXUNCDOZSBQOL-SVQMELKDSA-N
MW485.56 g/mol
LogP5.80
Rot. Bonds10

About 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid

3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid (PubChem CID 69079313) has the molecular formula C30H28FNO4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
PubChem CID69079313
Molecular FormulaC30H28FNO4
Molecular Weight485.56 g/mol
Exact Mass485.20
IUPAC Name3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
SMILESC[C@@H](CCc1ccccc1)Oc1c(C(=O)NC(Cc2ccc(F)cc2)C(=O)O)ccc2ccccc12
InChIInChI=1S/C30H28FNO4/c1-20(11-12-21-7-3-2-4-8-21)36-28-25-10-6-5-9-23(25)15-18-26(28)29(33)32-27(30(34)35)19-22-13-16-24(31)17-14-22/h2-10,13-18,20,27H,11-12,19H2,1H3,(H,32,33)(H,34,35)/t20-,27?/m0/s1
InChIKeyCSXUNCDOZSBQOL-SVQMELKDSA-N
XLogP5.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-2-[[1-(2-phenylethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 69077665
2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 69081541
1-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 24769442
(2S)-2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 99781231
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 59949188
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
(2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 168751782
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 20624242
2-(cinnoline-3-carbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 171320846

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid (CID 69079313) is 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid is C[C@@H](CCc1ccccc1)Oc1c(C(=O)NC(Cc2ccc(F)cc2)C(=O)O)ccc2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
The InChIKey is CSXUNCDOZSBQOL-SVQMELKDSA-N. The full InChI is InChI=1S/C30H28FNO4/c1-20(11-12-21-7-3-2-4-8-21)36-28-25-10-6-5-9-23(25)15-18-26(28)29(33)32-27(30(34)35)19-22-13-16-24(31)17-14-22/h2-10,13-18,20,27H,11-12,19H2,1H3,(H,32,33)(H,34,35)/t20-,27?/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid?
3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid has a molecular weight of 485.56 g/mol, XLogP of 5.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[1-[(2S)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 69079313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).