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

C13H25N3O3 — CID 63171016

IUPAC2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(N)(CCN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-13(14,12(17)18)3-5-15-4-2-11(10-15)16-6-8-19-9-7-16/h11H,2-10,14H2,1H3,(H,17,18)
InChIKeyZIIFCHMJPVMWLJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.41
Rot. Bonds5

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

2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 63171016) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
PubChem CID63171016
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(N)(CCN1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-13(14,12(17)18)3-5-15-4-2-11(10-15)16-6-8-19-9-7-16/h11H,2-10,14H2,1H3,(H,17,18)
InChIKeyZIIFCHMJPVMWLJ-UHFFFAOYSA-N
XLogP-0.41
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
CID 63171249
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
CID 106811330
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
(E)-3-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoic acid
CID 55237498

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid (CID 63171016) is 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid is CC(N)(CCN1CCC(N2CCOCC2)C1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is ZIIFCHMJPVMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(14,12(17)18)3-5-15-4-2-11(10-15)16-6-8-19-9-7-16/h11H,2-10,14H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid?
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid has a molecular weight of 271.36 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 63171016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).