ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate

C10H18N2O4 — CID 106190615

IUPACethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CNC(=O)C1
InChIInChI=1S/C10H18N2O4/c1-2-16-10(15)4-8(13)6-11-7-3-9(14)12-5-7/h7-8,11,13H,2-6H2,1H3,(H,12,14)
InChIKeySXDFQCRCQRUWTF-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.22
Rot. Bonds6

About ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate

ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate (PubChem CID 106190615) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
PubChem CID106190615
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CNC(=O)C1
InChIInChI=1S/C10H18N2O4/c1-2-16-10(15)4-8(13)6-11-7-3-9(14)12-5-7/h7-8,11,13H,2-6H2,1H3,(H,12,14)
InChIKeySXDFQCRCQRUWTF-UHFFFAOYSA-N
XLogP-1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
CID 103255113
ethyl 2-[(3S)-5-oxopyrrolidin-3-yl]acetate
CID 98007144
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
CID 106189408
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
CID 106189128
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate (CID 106190615) is ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate is CCOC(=O)CC(O)CNC1CNC(=O)C1.
What is the InChIKey of ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate?
The InChIKey is SXDFQCRCQRUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-10(15)4-8(13)6-11-7-3-9(14)12-5-7/h7-8,11,13H,2-6H2,1H3,(H,12,14).
What are the key properties of ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate?
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate has a molecular weight of 230.26 g/mol, XLogP of -1.22, 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-[(5-oxopyrrolidin-3-yl)amino]butanoate is sourced from PubChem (CID 106190615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).