[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate

C20H25NO2 — CID 121463848

IUPAC[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESCc1ccc(C(c2ccc(C)cc2)[C@H](C)OC(=O)[C@H](C)N)cc1
InChIInChI=1S/C20H25NO2/c1-13-5-9-17(10-6-13)19(16(4)23-20(22)15(3)21)18-11-7-14(2)8-12-18/h5-12,15-16,19H,21H2,1-4H3/t15-,16-/m0/s1
InChIKeyLGDIQZUYQWQOJE-HOTGVXAUSA-N
MW311.43 g/mol
LogP3.71
Rot. Bonds5

About [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate

[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate (PubChem CID 121463848) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
PubChem CID121463848
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
SMILESCc1ccc(C(c2ccc(C)cc2)[C@H](C)OC(=O)[C@H](C)N)cc1
InChIInChI=1S/C20H25NO2/c1-13-5-9-17(10-6-13)19(16(4)23-20(22)15(3)21)18-11-7-14(2)8-12-18/h5-12,15-16,19H,21H2,1-4H3/t15-,16-/m0/s1
InChIKeyLGDIQZUYQWQOJE-HOTGVXAUSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate
CID 121463946
[(2S,3S)-4-methyl-3-(4-methylphenyl)pentan-2-yl] (2S)-2-aminopropanoate
CID 135195212
[(2S)-1,1-bis(3,4-dimethylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463927
[(2S)-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-yl] (2S)-2-aminopropanoate
CID 121463731
[(2S)-1,1-bis(3,5-dimethoxyphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463942
[(2S)-1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463819
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
[(1R,2S)-1-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121462021
1-(4-methylphenyl)ethyl 2-methyl-3-oxobutanoate
CID 67302946
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate (CID 121463848) is [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate is Cc1ccc(C(c2ccc(C)cc2)[C@H](C)OC(=O)[C@H](C)N)cc1.
What is the InChIKey of [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is LGDIQZUYQWQOJE-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-5-9-17(10-6-13)19(16(4)23-20(22)15(3)21)18-11-7-14(2)8-12-18/h5-12,15-16,19H,21H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate?
[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 311.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 121463848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).