methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

C24H23NO5 — CID 135065937

IUPACmethyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO5/c1-29-24(28)21(25-23(27)19-10-6-3-7-11-19)22(26)18-12-14-20(15-13-18)30-16-17-8-4-2-5-9-17/h2-15,21-22,26H,16H2,1H3,(H,25,27)/t21-,22-/m1/s1
InChIKeyJCVMMORDOFOYCG-FGZHOGPDSA-N
MW405.45 g/mol
LogP3.27
Rot. Bonds8

About methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate

methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 135065937) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID135065937
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namemethyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO5/c1-29-24(28)21(25-23(27)19-10-6-3-7-11-19)22(26)18-12-14-20(15-13-18)30-16-17-8-4-2-5-9-17/h2-15,21-22,26H,16H2,1H3,(H,25,27)/t21-,22-/m1/s1
InChIKeyJCVMMORDOFOYCG-FGZHOGPDSA-N
XLogP3.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 84579662
methyl (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 100937559
methyl 3-hydroxy-2-[(3-hydroxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 84582172
(2S)-2-benzamido-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 54568424
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
methyl (2S)-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 67862955
benzyl N-[(2R)-1-hydroxy-3-methyl-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 11750488
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
methyl (2R,3R)-2-benzamido-3-(3-bromophenyl)-3-hydroxypropanoate
CID 135065759
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate (CID 135065937) is methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate is COC(=O)[C@H](NC(=O)c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is JCVMMORDOFOYCG-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H23NO5/c1-29-24(28)21(25-23(27)19-10-6-3-7-11-19)22(26)18-12-14-20(15-13-18)30-16-17-8-4-2-5-9-17/h2-15,21-22,26H,16H2,1H3,(H,25,27)/t21-,22-/m1/s1.
What are the key properties of methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate?
methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 405.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 135065937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).