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

C19H23NO2 — CID 90850657

IUPACtert-butyl 3-amino-3-(3-phenylphenyl)propanoate
SMILESCC(C)(C)OC(=O)CC(N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)13-17(20)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12,17H,13,20H2,1-3H3
InChIKeySGUUZMFYCUZKEV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.09
Rot. Bonds4

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

tert-butyl 3-amino-3-(3-phenylphenyl)propanoate (PubChem CID 90850657) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(3-phenylphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(3-phenylphenyl)propanoate
PubChem CID90850657
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 3-amino-3-(3-phenylphenyl)propanoate
SMILESCC(C)(C)OC(=O)CC(N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H23NO2/c1-19(2,3)22-18(21)13-17(20)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12,17H,13,20H2,1-3H3
InChIKeySGUUZMFYCUZKEV-UHFFFAOYSA-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 (3R)-3-amino-3-(4-phenylphenyl)propanoate
CID 131888301
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
tert-butyl 3-amino-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate
CID 135367498
(2-methylpropan-2-yl)oxycarbonyl (3S)-3-amino-3-phenylpropanoate
CID 174500905
tert-butyl (3R)-3-amino-3-(3,5-dichlorophenyl)propanoate
CID 131875698
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
CID 171214607
tert-butyl 2-amino-2-[3-[4-(hydroxymethyl)phenyl]phenyl]acetate
CID 91229930
tert-butyl (3S)-3-amino-3-(2,6-difluorophenyl)propanoate
CID 155971124
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(3-phenylphenyl)propanoate?
The IUPAC name of tert-butyl 3-amino-3-(3-phenylphenyl)propanoate (CID 90850657) is tert-butyl 3-amino-3-(3-phenylphenyl)propanoate.
What is the SMILES notation for tert-butyl 3-amino-3-(3-phenylphenyl)propanoate?
The canonical SMILES for tert-butyl 3-amino-3-(3-phenylphenyl)propanoate is CC(C)(C)OC(=O)CC(N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of tert-butyl 3-amino-3-(3-phenylphenyl)propanoate?
The InChIKey is SGUUZMFYCUZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)22-18(21)13-17(20)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12,17H,13,20H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(3-phenylphenyl)propanoate?
tert-butyl 3-amino-3-(3-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 3-amino-3-(3-phenylphenyl)propanoate is sourced from PubChem (CID 90850657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).