(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid

C24H23NO6 — CID 2577208

IUPAC(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C24H23NO6/c1-30-22-14-18(9-12-21(22)31-15-17-5-3-2-4-6-17)23(27)25-20(24(28)29)13-16-7-10-19(26)11-8-16/h2-12,14,20,26H,13,15H2,1H3,(H,25,27)(H,28,29)/t20-/m0/s1
InChIKeyHBUDXRINRWCECF-FQEVSTJZSA-N
MW421.45 g/mol
LogP3.41
Rot. Bonds9

About (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid

(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid (PubChem CID 2577208) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
PubChem CID2577208
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C24H23NO6/c1-30-22-14-18(9-12-21(22)31-15-17-5-3-2-4-6-17)23(27)25-20(24(28)29)13-16-7-10-19(26)11-8-16/h2-12,14,20,26H,13,15H2,1H3,(H,25,27)(H,28,29)/t20-/m0/s1
InChIKeyHBUDXRINRWCECF-FQEVSTJZSA-N
XLogP3.41
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 54452131
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid (CID 2577208) is (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid is COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid?
The InChIKey is HBUDXRINRWCECF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23NO6/c1-30-22-14-18(9-12-21(22)31-15-17-5-3-2-4-6-17)23(27)25-20(24(28)29)13-16-7-10-19(26)11-8-16/h2-12,14,20,26H,13,15H2,1H3,(H,25,27)(H,28,29)/t20-/m0/s1.
What are the key properties of (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid?
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid has a molecular weight of 421.45 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 2577208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).