3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 79425835

IUPAC3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CCN2CCOCC2)CCNC1
InChIInChI=1S/C11H20N2O3/c14-10(15)11(1-3-12-9-11)2-4-13-5-7-16-8-6-13/h12H,1-9H2,(H,14,15)
InChIKeyRZIYVBGVMAYCAR-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.23
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid

3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 79425835) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
PubChem CID79425835
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CCN2CCOCC2)CCNC1
InChIInChI=1S/C11H20N2O3/c14-10(15)11(1-3-12-9-11)2-4-13-5-7-16-8-6-13/h12H,1-9H2,(H,14,15)
InChIKeyRZIYVBGVMAYCAR-UHFFFAOYSA-N
XLogP-0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 79422456
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139450
N-morpholin-4-yl-3-propylpyrrolidine-3-carboxamide
CID 83016950
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
CID 103719540
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979565
3-(morpholin-4-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 146675400
2-morpholin-4-ylethyl 4-methylpiperidine-4-carboxylate;hydrochloride
CID 118522513

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid (CID 79425835) is 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(CCN2CCOCC2)CCNC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RZIYVBGVMAYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-10(15)11(1-3-12-9-11)2-4-13-5-7-16-8-6-13/h12H,1-9H2,(H,14,15).
What are the key properties of 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid?
3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79425835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).