tert-butyl (3R)-3-anilino-3-phenylpropanoate

C19H23NO2 — CID 134904442

IUPACtert-butyl (3R)-3-anilino-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)C[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)14-17(15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3/t17-/m1/s1
InChIKeyCOCHTHQCRMLJDJ-QGZVFWFLSA-N
MW297.40 g/mol
LogP4.57
Rot. Bonds5

About tert-butyl (3R)-3-anilino-3-phenylpropanoate

tert-butyl (3R)-3-anilino-3-phenylpropanoate (PubChem CID 134904442) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-anilino-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-anilino-3-phenylpropanoate
PubChem CID134904442
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametert-butyl (3R)-3-anilino-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)C[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)14-17(15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3/t17-/m1/s1
InChIKeyCOCHTHQCRMLJDJ-QGZVFWFLSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
tert-butyl (3S)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4,4-dimethylpentanoate
CID 11267208
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
tert-butyl 3-(1-phenylpropylamino)propanoate
CID 103785968
tert-butyl (3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 11025192
tert-butyl (3R,4S)-3-hydroxy-4-phenylpentanoate
CID 101129799
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 67209959
tert-butyl (3S)-4-oxo-3-phenylbutanoate
CID 165121865
4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 67209446

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-anilino-3-phenylpropanoate?
The IUPAC name of tert-butyl (3R)-3-anilino-3-phenylpropanoate (CID 134904442) is tert-butyl (3R)-3-anilino-3-phenylpropanoate.
What is the SMILES notation for tert-butyl (3R)-3-anilino-3-phenylpropanoate?
The canonical SMILES for tert-butyl (3R)-3-anilino-3-phenylpropanoate is CC(C)(C)OC(=O)C[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (3R)-3-anilino-3-phenylpropanoate?
The InChIKey is COCHTHQCRMLJDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)22-18(21)14-17(15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-anilino-3-phenylpropanoate?
tert-butyl (3R)-3-anilino-3-phenylpropanoate has a molecular weight of 297.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-anilino-3-phenylpropanoate is sourced from PubChem (CID 134904442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).