methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate

C18H20BrNO3 — CID 10595796

IUPACmethyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate
SMILESCOC(=O)[C@](C)(N[C@@H](CO)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-18(17(22)23-2,14-8-10-15(19)11-9-14)20-16(12-21)13-6-4-3-5-7-13/h3-11,16,20-21H,12H2,1-2H3/t16-,18+/m0/s1
InChIKeyMYBLKIUDSZNHEV-FUHWJXTLSA-N
MW378.27 g/mol
LogP3.16
Rot. Bonds6

About methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate

methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate (PubChem CID 10595796) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate
PubChem CID10595796
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Namemethyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate
SMILESCOC(=O)[C@](C)(N[C@@H](CO)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-18(17(22)23-2,14-8-10-15(19)11-9-14)20-16(12-21)13-6-4-3-5-7-13/h3-11,16,20-21H,12H2,1-2H3/t16-,18+/m0/s1
InChIKeyMYBLKIUDSZNHEV-FUHWJXTLSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479
dimethyl 2-[(4-bromoanilino)methyl]-2-[2-(4-bromoanilino)-2-phenylethyl]propanedioate
CID 177402033
methyl (2S)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]-phenylmethoxycarbonylamino]propanoate
CID 10577681
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate
CID 43725966
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
methyl 3-(4-bromophenyl)-2,4-dihydroxy-3-phenylbutanoate
CID 70277013
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate (CID 10595796) is methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate is COC(=O)[C@](C)(N[C@@H](CO)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate?
The InChIKey is MYBLKIUDSZNHEV-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-18(17(22)23-2,14-8-10-15(19)11-9-14)20-16(12-21)13-6-4-3-5-7-13/h3-11,16,20-21H,12H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate?
methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate has a molecular weight of 378.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-bromophenyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanoate is sourced from PubChem (CID 10595796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).