(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid

C19H18F3NO4 — CID 16681607

IUPAC(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid
SMILESCO[C@@](C(=O)N[C@H](Cc1ccccc1)C(=O)O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H18F3NO4/c1-27-18(19(20,21)22,14-10-6-3-7-11-14)17(26)23-15(16(24)25)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,23,26)(H,24,25)/t15-,18-/m1/s1
InChIKeyCDHCXUYMIRYNSF-CRAIPNDOSA-N
MW381.35 g/mol
LogP2.90
Rot. Bonds7

About (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid

(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid (PubChem CID 16681607) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid
PubChem CID16681607
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid
SMILESCO[C@@](C(=O)N[C@H](Cc1ccccc1)C(=O)O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H18F3NO4/c1-27-18(19(20,21)22,14-10-6-3-7-11-14)17(26)23-15(16(24)25)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,23,26)(H,24,25)/t15-,18-/m1/s1
InChIKeyCDHCXUYMIRYNSF-CRAIPNDOSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(2,2-difluoro-3-methoxypropanoyl)amino]-3-phenylpropanoic acid
CID 167835410
ethyl (E)-5-phenyl-4-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]pent-2-enoate
CID 5375170
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 72975437
(2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 11473902
(2S)-2-amino-3-[4-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]phenyl]propanoic acid
CID 171561204
methyl (2S,3S)-3-methyl-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]pentanoate
CID 102095413
tert-butyl (2S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoate
CID 10480770
ethyl (2R)-3-methyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]butanoate
CID 11371864
(2R)-2-(4-chlorophenyl)-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]acetic acid
CID 10069650
tert-butyl (2R)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11130916
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
(2R)-N-[(3S)-4-butyl-4-hydroxy-2-methyloctan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 10252194

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid (CID 16681607) is (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid is CO[C@@](C(=O)N[C@H](Cc1ccccc1)C(=O)O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid?
The InChIKey is CDHCXUYMIRYNSF-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-27-18(19(20,21)22,14-10-6-3-7-11-14)17(26)23-15(16(24)25)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,23,26)(H,24,25)/t15-,18-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid?
(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid has a molecular weight of 381.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 16681607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).