4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid

C10H14N2O5 — CID 81450416

IUPAC4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C1CC(C(=O)N2CCOC(C(=O)O)C2)CN1
InChIInChI=1S/C10H14N2O5/c13-8-3-6(4-11-8)9(14)12-1-2-17-7(5-12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16)
InChIKeyKCSIUCBQKNSRKT-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.57
Rot. Bonds2

About 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid

4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 81450416) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID81450416
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C1CC(C(=O)N2CCOC(C(=O)O)C2)CN1
InChIInChI=1S/C10H14N2O5/c13-8-3-6(4-11-8)9(14)12-1-2-17-7(5-12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16)
InChIKeyKCSIUCBQKNSRKT-UHFFFAOYSA-N
XLogP-1.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one
CID 79079586
(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125153354
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
4-acetylmorpholine-2-carboxylic acid
CID 20598078
5-[2-(1-aminoethyl)morpholine-4-carbonyl]piperidin-2-one
CID 81484363
4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 83193614
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
CID 79807210
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid (CID 81450416) is 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid is O=C1CC(C(=O)N2CCOC(C(=O)O)C2)CN1.
What is the InChIKey of 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is KCSIUCBQKNSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-8-3-6(4-11-8)9(14)12-1-2-17-7(5-12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16).
What are the key properties of 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid?
4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 81450416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).