3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid

C11H18N2O5 — CID 64891042

IUPAC3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1COCCN1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O5/c1-8-6-17-5-3-13(8)10(16)12-11(9(14)15)2-4-18-7-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyFPCYAWSQNMMYMO-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.34
Rot. Bonds2

About 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid

3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64891042) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64891042
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1COCCN1C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O5/c1-8-6-17-5-3-13(8)10(16)12-11(9(14)15)2-4-18-7-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyFPCYAWSQNMMYMO-UHFFFAOYSA-N
XLogP-0.34
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 64891042) is 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid is CC1COCCN1C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FPCYAWSQNMMYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-8-6-17-5-3-13(8)10(16)12-11(9(14)15)2-4-18-7-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64891042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).