2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid

C11H20N2O3 — CID 64527345

IUPAC2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
SMILESCN1CCC(CC(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C11H20N2O3/c1-12-3-2-11(9-12,8-10(14)15)13-4-6-16-7-5-13/h2-9H2,1H3,(H,14,15)
InChIKeyZZUFDAPIHBWGTO-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.13
Rot. Bonds3

About 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid

2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid (PubChem CID 64527345) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
PubChem CID64527345
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
SMILESCN1CCC(CC(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C11H20N2O3/c1-12-3-2-11(9-12,8-10(14)15)13-4-6-16-7-5-13/h2-9H2,1H3,(H,14,15)
InChIKeyZZUFDAPIHBWGTO-UHFFFAOYSA-N
XLogP-0.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
CID 64745099
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
CID 64529304
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65419694
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
CID 112505002
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 154741387

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid (CID 64527345) is 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid is CN1CCC(CC(=O)O)(N2CCOCC2)C1.
What is the InChIKey of 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid?
The InChIKey is ZZUFDAPIHBWGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-3-2-11(9-12,8-10(14)15)13-4-6-16-7-5-13/h2-9H2,1H3,(H,14,15).
What are the key properties of 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid?
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid has a molecular weight of 228.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 64527345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).