ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate

C30H34N2O5 — CID 57083235

IUPACethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)CC(Cc1ccccc1)C(=O)NCCC(=O)OCc1cccnc1
InChIInChI=1S/C30H34N2O5/c1-2-36-30(35)27(19-24-12-7-4-8-13-24)20-26(18-23-10-5-3-6-11-23)29(34)32-17-15-28(33)37-22-25-14-9-16-31-21-25/h3-14,16,21,26-27H,2,15,17-20,22H2,1H3,(H,32,34)/t26?,27-/m0/s1
InChIKeyRLQXFAABLBJPHQ-GEVKEYJPSA-N
MW502.61 g/mol
LogP4.30
Rot. Bonds14

About ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate

ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate (PubChem CID 57083235) has the molecular formula C30H34N2O5 and a molecular weight of 502.61 g/mol. Its IUPAC name is ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate
PubChem CID57083235
Molecular FormulaC30H34N2O5
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC Nameethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)CC(Cc1ccccc1)C(=O)NCCC(=O)OCc1cccnc1
InChIInChI=1S/C30H34N2O5/c1-2-36-30(35)27(19-24-12-7-4-8-13-24)20-26(18-23-10-5-3-6-11-23)29(34)32-17-15-28(33)37-22-25-14-9-16-31-21-25/h3-14,16,21,26-27H,2,15,17-20,22H2,1H3,(H,32,34)/t26?,27-/m0/s1
InChIKeyRLQXFAABLBJPHQ-GEVKEYJPSA-N
XLogP4.30
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-benzyl-3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate
CID 174660522
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
methyl 2-(pyridin-3-ylmethyl)pentanoate
CID 174237588
pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
diethyl (2S)-2-benzylbutanedioate
CID 24748926
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
pyridin-3-ylmethyl 9-methyltetradecanoate
CID 91700055

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate?
The IUPAC name of ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate (CID 57083235) is ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate.
What is the SMILES notation for ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate?
The canonical SMILES for ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate is CCOC(=O)[C@@H](Cc1ccccc1)CC(Cc1ccccc1)C(=O)NCCC(=O)OCc1cccnc1.
What is the InChIKey of ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate?
The InChIKey is RLQXFAABLBJPHQ-GEVKEYJPSA-N. The full InChI is InChI=1S/C30H34N2O5/c1-2-36-30(35)27(19-24-12-7-4-8-13-24)20-26(18-23-10-5-3-6-11-23)29(34)32-17-15-28(33)37-22-25-14-9-16-31-21-25/h3-14,16,21,26-27H,2,15,17-20,22H2,1H3,(H,32,34)/t26?,27-/m0/s1.
What are the key properties of ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate?
ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate has a molecular weight of 502.61 g/mol, XLogP of 4.30, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate is sourced from PubChem (CID 57083235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).