tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride

C19H24ClNO2 — CID 141206452

IUPACtert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(N)Cc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-19(2,3)22-18(21)17(20)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;/h4-12,17H,13,20H2,1-3H3;1H
InChIKeyZCYFDSAVJQSTHJ-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride

tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride (PubChem CID 141206452) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
PubChem CID141206452
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Nametert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(N)Cc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-19(2,3)22-18(21)17(20)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;/h4-12,17H,13,20H2,1-3H3;1H
InChIKeyZCYFDSAVJQSTHJ-UHFFFAOYSA-N
XLogP3.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-3-[4-(benzylamino)phenyl]propanoate
CID 57170607
4-O-tert-butyl 1-O-methyl 2-amino-3-[(4-phenylphenyl)methyl]butanedioate
CID 70084320
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)propanoate
CID 54165475
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
tert-butyl 2-amino-3-(4-prop-2-enoxyphenyl)propanoate
CID 123981961
tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate
CID 71164693
tert-butyl 2-amino-3-(4-prop-1-ynylphenyl)propanoate
CID 123140867
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
tert-butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 10857989

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
The IUPAC name of tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride (CID 141206452) is tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride.
What is the SMILES notation for tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
The canonical SMILES for tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride is CC(C)(C)OC(=O)C(N)Cc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
The InChIKey is ZCYFDSAVJQSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-19(2,3)22-18(21)17(20)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;/h4-12,17H,13,20H2,1-3H3;1H.
What are the key properties of tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 141206452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).