ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate

C11H20N2O4 — CID 103248566

IUPACethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CCCNC1=O
InChIInChI=1S/C11H20N2O4/c1-2-17-10(15)6-8(14)7-13-9-4-3-5-12-11(9)16/h8-9,13-14H,2-7H2,1H3,(H,12,16)
InChIKeyDPDXEIQSDQSTGE-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.83
Rot. Bonds6

About ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate

ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate (PubChem CID 103248566) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
PubChem CID103248566
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CCCNC1=O
InChIInChI=1S/C11H20N2O4/c1-2-17-10(15)6-8(14)7-13-9-4-3-5-12-11(9)16/h8-9,13-14H,2-7H2,1H3,(H,12,16)
InChIKeyDPDXEIQSDQSTGE-UHFFFAOYSA-N
XLogP-0.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-oxopiperidin-3-yl)amino]acetate
CID 22906858
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615
ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
CID 103255113
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one
CID 62092504
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 62093953
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
CID 62094325
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152
3-(pentylamino)piperidin-2-one
CID 62093756
3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
CID 103248597

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate (CID 103248566) is ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate is CCOC(=O)CC(O)CNC1CCCNC1=O.
What is the InChIKey of ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate?
The InChIKey is DPDXEIQSDQSTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-10(15)6-8(14)7-13-9-4-3-5-12-11(9)16/h8-9,13-14H,2-7H2,1H3,(H,12,16).
What are the key properties of ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate?
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate has a molecular weight of 244.29 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate is sourced from PubChem (CID 103248566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).