2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid

C13H24N2O3 — CID 79804327

IUPAC2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N1CCCC1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-13(6-2,10(16)17)14-11(18)15-9-7-8-12(15,3)4/h5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWLECSAHDPRBSEP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds4

About 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid

2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 79804327) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID79804327
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)N1CCCC1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-13(6-2,10(16)17)14-11(18)15-9-7-8-12(15,3)4/h5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWLECSAHDPRBSEP-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65264074
2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 79804077
2-ethyl-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 79803729
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311419
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815791
6-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 63218508
2,2-dimethyl-N-[(2R)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840093
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-ethylbutanoic acid
CID 107164815
(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839891
2,2-dimethyl-N-[(2S)-pent-4-en-2-yl]pyrrolidine-1-carboxamide
CID 99840092

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid (CID 79804327) is 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)N1CCCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is WLECSAHDPRBSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-13(6-2,10(16)17)14-11(18)15-9-7-8-12(15,3)4/h5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid?
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).