3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid

C14H26N2O3 — CID 63219284

IUPAC3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H26N2O3/c1-13(2,3)15(10-7-11(17)18)12(19)16-9-6-8-14(16,4)5/h6-10H2,1-5H3,(H,17,18)
InChIKeyDUQLELRXLHJEQB-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.56
Rot. Bonds3

About 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid

3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 63219284) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID63219284
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H26N2O3/c1-13(2,3)15(10-7-11(17)18)12(19)16-9-6-8-14(16,4)5/h6-10H2,1-5H3,(H,17,18)
InChIKeyDUQLELRXLHJEQB-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61186565
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
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4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
3-[tert-butyl(1,4-diazepane-1-carbonyl)amino]propanoic acid
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3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61206908
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
CID 65464697
5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 63219934
3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200021
6-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 63218508
3-[tert-butyl-(2,2-dimethylcyclopropanecarbonyl)amino]propanoic acid
CID 107000352
3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 166290413

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 63219284) is 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)N1CCCC1(C)C.
What is the InChIKey of 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DUQLELRXLHJEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)15(10-7-11(17)18)12(19)16-9-6-8-14(16,4)5/h6-10H2,1-5H3,(H,17,18).
What are the key properties of 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid?
3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63219284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).