tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate

C19H23NO2 — CID 131888301

IUPACtert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
SMILESCC(C)(C)OC(=O)C[C@@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)13-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13,20H2,1-3H3/t17-/m1/s1
InChIKeyCTADSHDVGQFFAV-QGZVFWFLSA-N
MW297.40 g/mol
LogP4.09
Rot. Bonds4

About tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate

tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate (PubChem CID 131888301) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
PubChem CID131888301
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
SMILESCC(C)(C)OC(=O)C[C@@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)13-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13,20H2,1-3H3/t17-/m1/s1
InChIKeyCTADSHDVGQFFAV-QGZVFWFLSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
(2-methylpropan-2-yl)oxycarbonyl (3S)-3-amino-3-phenylpropanoate
CID 174500905
tert-butyl (3R)-3-amino-3-[4-(diethylamino)phenyl]propanoate
CID 165342440
tert-butyl (3S)-3-amino-3-(2-bromophenyl)propanoate
CID 11130344
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
tert-butyl 3-hydroxy-5-(4-phenylphenyl)pentanoate
CID 11624016
tert-butyl (3R)-3-amino-3-(3,5-dichlorophenyl)propanoate
CID 131875698
tert-butyl (3S)-3-amino-3-(2,6-difluorophenyl)propanoate
CID 155971124
ditert-butyl (3R)-4-oxo-3-[(4-phenylphenyl)methyl]heptanedioate
CID 148687228
tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate
CID 78058335
tert-butyl 3-amino-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate
CID 135367498

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
The IUPAC name of tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate (CID 131888301) is tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate.
What is the SMILES notation for tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
The canonical SMILES for tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate is CC(C)(C)OC(=O)C[C@@H](N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
The InChIKey is CTADSHDVGQFFAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)22-18(21)13-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13,20H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate has a molecular weight of 297.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate is sourced from PubChem (CID 131888301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).