ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate

C14H20N2O5 — CID 90624842

IUPACethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C14H20N2O5/c1-2-21-14(20)7-6-12(18)15-9-11(17)10-16-8-4-3-5-13(16)19/h3-5,8,11,17H,2,6-7,9-10H2,1H3,(H,15,18)
InChIKeyCDAXMRSCPYOMDN-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.33
Rot. Bonds8

About ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate

ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate (PubChem CID 90624842) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
PubChem CID90624842
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C14H20N2O5/c1-2-21-14(20)7-6-12(18)15-9-11(17)10-16-8-4-3-5-13(16)19/h3-5,8,11,17H,2,6-7,9-10H2,1H3,(H,15,18)
InChIKeyCDAXMRSCPYOMDN-UHFFFAOYSA-N
XLogP-0.33
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate with MolForge

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Related Compounds

4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 90624845
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-pyrazol-1-ylacetamide
CID 90624986
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(3-methylphenoxy)acetamide
CID 90624909
2-(4-fluorophenoxy)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624911
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(3-methoxyphenoxy)acetamide
CID 90624905
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99876911

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate (CID 90624842) is ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(O)Cn1ccccc1=O.
What is the InChIKey of ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate?
The InChIKey is CDAXMRSCPYOMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-21-14(20)7-6-12(18)15-9-11(17)10-16-8-4-3-5-13(16)19/h3-5,8,11,17H,2,6-7,9-10H2,1H3,(H,15,18).
What are the key properties of ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate?
ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate has a molecular weight of 296.32 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate is sourced from PubChem (CID 90624842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).