2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid

C14H26N2O3 — CID 65248073

IUPAC2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(C)(CCN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,13(17)18)4-6-15-5-3-12(11-15)16-7-9-19-10-8-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyMPHANJSOPSCXML-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.89
Rot. Bonds5

About 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid

2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 65248073) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
PubChem CID65248073
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(C)(CCN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,13(17)18)4-6-15-5-3-12(11-15)16-7-9-19-10-8-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyMPHANJSOPSCXML-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-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
CID 63171249
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
CID 65248276
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 63170529
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
(E)-3-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoic acid
CID 55237498
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid (CID 65248073) is 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid is CC(C)(CCN1CCC(N2CCOCC2)C1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is MPHANJSOPSCXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,13(17)18)4-6-15-5-3-12(11-15)16-7-9-19-10-8-16/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)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 2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 65248073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).