2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid

C14H25N3O4 — CID 115428804

IUPAC2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)N1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-14(2,12(18)19)10-15-13(20)17-4-3-11(9-17)16-5-7-21-8-6-16/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyDXXXDMXYCGLHRI-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.21
Rot. Bonds4

About 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 115428804) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID115428804
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)N1CCC(N2CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-14(2,12(18)19)10-15-13(20)17-4-3-11(9-17)16-5-7-21-8-6-16/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyDXXXDMXYCGLHRI-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107839880
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
2,2-dimethyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 65248073
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 76999792
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 115428804) is 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid is CC(C)(CNC(=O)N1CCC(N2CCOCC2)C1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DXXXDMXYCGLHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,12(18)19)10-15-13(20)17-4-3-11(9-17)16-5-7-21-8-6-16/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115428804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).