methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate

C22H24N2O6 — CID 39968914

IUPACmethyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O6/c1-15(23-20(26)17-11-7-4-8-12-17)21(27)30-14-19(25)24-18(22(28)29-2)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,26)(H,24,25)/t15-,18-/m1/s1
InChIKeyOCTIDAFBPWRLEW-CRAIPNDOSA-N
MW412.44 g/mol
LogP1.25
Rot. Bonds9

About methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate (PubChem CID 39968914) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
PubChem CID39968914
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Namemethyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O6/c1-15(23-20(26)17-11-7-4-8-12-17)21(27)30-14-19(25)24-18(22(28)29-2)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,26)(H,24,25)/t15-,18-/m1/s1
InChIKeyOCTIDAFBPWRLEW-CRAIPNDOSA-N
XLogP1.25
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 55936701
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 46605778
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 55397267
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate (CID 39968914) is methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate?
The InChIKey is OCTIDAFBPWRLEW-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-15(23-20(26)17-11-7-4-8-12-17)21(27)30-14-19(25)24-18(22(28)29-2)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,26)(H,24,25)/t15-,18-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate has a molecular weight of 412.44 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 39968914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).