4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid

C12H20N2O5 — CID 114131758

IUPAC4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)NCCC1CCOC1
InChIInChI=1S/C12H20N2O5/c15-11(16)10-8-19-6-4-14(10)12(17)13-3-1-9-2-5-18-7-9/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyFXZXPYHWAHJXTD-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.09
Rot. Bonds4

About 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid

4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid (PubChem CID 114131758) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
PubChem CID114131758
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)NCCC1CCOC1
InChIInChI=1S/C12H20N2O5/c15-11(16)10-8-19-6-4-14(10)12(17)13-3-1-9-2-5-18-7-9/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeyFXZXPYHWAHJXTD-UHFFFAOYSA-N
XLogP-0.09
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid (CID 114131758) is 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)NCCC1CCOC1.
What is the InChIKey of 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
The InChIKey is FXZXPYHWAHJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-11(16)10-8-19-6-4-14(10)12(17)13-3-1-9-2-5-18-7-9/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 114131758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).