methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate

C18H19NO5 — CID 720743

IUPACmethyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-23-16-11-12(8-9-15(16)20)10-14(18(22)24-2)19-17(21)13-6-4-3-5-7-13/h3-9,11,14,20H,10H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyBHQKUUBRJPSPKC-CQSZACIVSA-N
MW329.35 g/mol
LogP1.91
Rot. Bonds6

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

methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate (PubChem CID 720743) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
PubChem CID720743
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-23-16-11-12(8-9-15(16)20)10-14(18(22)24-2)19-17(21)13-6-4-3-5-7-13/h3-9,11,14,20H,10H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyBHQKUUBRJPSPKC-CQSZACIVSA-N
XLogP1.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 12681284
2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 10861285
methyl 3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22571735
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate
CID 155247481
methyl (2S)-2-[[2-hydroxy-5-(3-hydroxy-4-methoxyphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoate
CID 142862263
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 156757787
[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
CID 162952199
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate
CID 46817744

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate (CID 720743) is methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate is COC(=O)[C@@H](Cc1ccc(O)c(OC)c1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
The InChIKey is BHQKUUBRJPSPKC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-16-11-12(8-9-15(16)20)10-14(18(22)24-2)19-17(21)13-6-4-3-5-7-13/h3-9,11,14,20H,10H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate has a molecular weight of 329.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate is sourced from PubChem (CID 720743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).