(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid

C19H20FNO3 — CID 119367658

IUPAC(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
SMILESCC(CCc1ccccc1F)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H20FNO3/c1-13(11-12-14-7-5-6-10-16(14)20)18(22)21-17(19(23)24)15-8-3-2-4-9-15/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)/t13?,17-/m1/s1
InChIKeyDFIGOAZFAWWMPY-LRHAYUFXSA-N
MW329.37 g/mol
LogP3.34
Rot. Bonds7

About (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid

(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid (PubChem CID 119367658) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
PubChem CID119367658
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
SMILESCC(CCc1ccccc1F)C(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H20FNO3/c1-13(11-12-14-7-5-6-10-16(14)20)18(22)21-17(19(23)24)15-8-3-2-4-9-15/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)/t13?,17-/m1/s1
InChIKeyDFIGOAZFAWWMPY-LRHAYUFXSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 119201306
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
CID 122109856
3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 110306138
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443
N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid (CID 119367658) is (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid is CC(CCc1ccccc1F)C(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid?
The InChIKey is DFIGOAZFAWWMPY-LRHAYUFXSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(11-12-14-7-5-6-10-16(14)20)18(22)21-17(19(23)24)15-8-3-2-4-9-15/h2-10,13,17H,11-12H2,1H3,(H,21,22)(H,23,24)/t13?,17-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid?
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid has a molecular weight of 329.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).