2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate

C19H21NO6 — CID 10861285

IUPAC2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
SMILESCOc1cc(C[C@H](NC(=O)c2ccccc2)C(=O)OCCO)ccc1O
InChIInChI=1S/C19H21NO6/c1-25-17-12-13(7-8-16(17)22)11-15(19(24)26-10-9-21)20-18(23)14-5-3-2-4-6-14/h2-8,12,15,21-22H,9-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyHXDFBRRZHKEHEK-HNNXBMFYSA-N
MW359.38 g/mol
LogP1.28
Rot. Bonds8

About 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate

2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate (PubChem CID 10861285) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
PubChem CID10861285
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
SMILESCOc1cc(C[C@H](NC(=O)c2ccccc2)C(=O)OCCO)ccc1O
InChIInChI=1S/C19H21NO6/c1-25-17-12-13(7-8-16(17)22)11-15(19(24)26-10-9-21)20-18(23)14-5-3-2-4-6-14/h2-8,12,15,21-22H,9-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyHXDFBRRZHKEHEK-HNNXBMFYSA-N
XLogP1.28
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 720743
(2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 12681284
ethyl 2-benzamido-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 156757787
[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
CID 162952199
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate
CID 46817744
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
methyl 3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22571735
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
hexyl 2-benzamido-3-phenylpropanoate
CID 569464

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
The IUPAC name of 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate (CID 10861285) is 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate.
What is the SMILES notation for 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
The canonical SMILES for 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate is COc1cc(C[C@H](NC(=O)c2ccccc2)C(=O)OCCO)ccc1O.
What is the InChIKey of 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
The InChIKey is HXDFBRRZHKEHEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-25-17-12-13(7-8-16(17)22)11-15(19(24)26-10-9-21)20-18(23)14-5-3-2-4-6-14/h2-8,12,15,21-22H,9-11H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate?
2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate has a molecular weight of 359.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate is sourced from PubChem (CID 10861285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).