2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid

C14H26N2O3 — CID 63171249

IUPAC2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
SMILESCCC(C)(CN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-14(2,13(17)18)11-15-5-4-12(10-15)16-6-8-19-9-7-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyJJGPYJSDBQDMEA-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.89
Rot. Bonds5

About 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid

2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid (PubChem CID 63171249) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
PubChem CID63171249
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
SMILESCCC(C)(CN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-14(2,13(17)18)11-15-5-4-12(10-15)16-6-8-19-9-7-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyJJGPYJSDBQDMEA-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293
(E)-3-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoic acid
CID 55237498
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
CID 62272328
2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64790692
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid (CID 63171249) is 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid is CCC(C)(CN1CCC(N2CCOCC2)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid?
The InChIKey is JJGPYJSDBQDMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-14(2,13(17)18)11-15-5-4-12(10-15)16-6-8-19-9-7-16/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid?
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 63171249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).