[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate

C19H23NO2 — CID 121463946

IUPAC[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate
SMILESCc1ccc([C@@H](c2ccccc2)[C@H](C)OC(=O)[C@H](C)N)cc1
InChIInChI=1S/C19H23NO2/c1-13-9-11-17(12-10-13)18(16-7-5-4-6-8-16)15(3)22-19(21)14(2)20/h4-12,14-15,18H,20H2,1-3H3/t14-,15-,18+/m0/s1
InChIKeyDQMSJVWULDXUPE-RLFYNMQTSA-N
MW297.40 g/mol
LogP3.41
Rot. Bonds5

About [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate

[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate (PubChem CID 121463946) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate
PubChem CID121463946
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate
SMILESCc1ccc([C@@H](c2ccccc2)[C@H](C)OC(=O)[C@H](C)N)cc1
InChIInChI=1S/C19H23NO2/c1-13-9-11-17(12-10-13)18(16-7-5-4-6-8-16)15(3)22-19(21)14(2)20/h4-12,14-15,18H,20H2,1-3H3/t14-,15-,18+/m0/s1
InChIKeyDQMSJVWULDXUPE-RLFYNMQTSA-N
XLogP3.41
TPSA52.32 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1,1-bis(4-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463848
[(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
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
2-aminopropanoic acid;toluene
CID 18362169
2,4-bis(4-methylphenyl)-1,1,5,5-tetraphenylpentan-3-one
CID 174794118
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
[(2R)-2-methoxy-1-phenylpropyl]benzene
CID 101223865
[(1R,2S)-1-(2-fluoro-4-methylphenyl)-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate
CID 121462231
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate (CID 121463946) is [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate is Cc1ccc([C@@H](c2ccccc2)[C@H](C)OC(=O)[C@H](C)N)cc1.
What is the InChIKey of [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is DQMSJVWULDXUPE-RLFYNMQTSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-9-11-17(12-10-13)18(16-7-5-4-6-8-16)15(3)22-19(21)14(2)20/h4-12,14-15,18H,20H2,1-3H3/t14-,15-,18+/m0/s1.
What are the key properties of [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate?
[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 297.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 121463946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).