5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid

C11H16N2O5 — CID 50972184

IUPAC5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCN2CCCOC2=O)C1
InChIInChI=1S/C11H16N2O5/c14-9-6-8(10(15)16)7-13(9)4-3-12-2-1-5-18-11(12)17/h8H,1-7H2,(H,15,16)
InChIKeyQMCBECYNNXKAEK-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.24
Rot. Bonds4

About 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 50972184) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID50972184
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCN2CCCOC2=O)C1
InChIInChI=1S/C11H16N2O5/c14-9-6-8(10(15)16)7-13(9)4-3-12-2-1-5-18-11(12)17/h8H,1-7H2,(H,15,16)
InChIKeyQMCBECYNNXKAEK-UHFFFAOYSA-N
XLogP-0.24
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Dimethylamino)ethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 654521
1-[2-(Morpholin-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16764453
4-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-oxobutanoic acid
CID 6420659
1-(3-Morpholin-4-yl-propyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146691
5-Oxo-1-[2-(1-piperidinyl)ethyl]-3-pyrrolidinecarboxylic acid
CID 42652521
1-[3-(4-Isopropylpiperazin-1-YL)-3-oxopropyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50962989
1-(2-Diethylamino-ethyl)-5-oxo-pyrrolidine-3-carboxylic acid
CID 3146692
1-(3-Ethoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3159024
1-(3-Methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4777964
1-[2-[Acetyl(2-carboxyethyl)amino]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20685241
1-(2-Morpholin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 54078501
4-(4-Ethoxycarbonyl-2-oxopyrrolidin-1-yl)butanoic acid
CID 89638064

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 50972184) is 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCN2CCCOC2=O)C1.
What is the InChIKey of 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QMCBECYNNXKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-9-6-8(10(15)16)7-13(9)4-3-12-2-1-5-18-11(12)17/h8H,1-7H2,(H,15,16).
What are the key properties of 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50972184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).