4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 63219024

IUPAC4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1(C)CCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2)6-4-8-13(11)10(16)12-7-3-5-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyLNNORUQCANLMGI-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds4

About 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid

4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 63219024) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID63219024
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC1(C)CCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-11(2)6-4-8-13(11)10(16)12-7-3-5-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyLNNORUQCANLMGI-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 63218508
(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839891
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
7-[(3,3-dimethylmorpholine-4-carbonyl)amino]heptanoic acid
CID 61427989
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311419
3-[[2-methyl-2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018828
4-[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122022016
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701
3-[tert-butyl-(2,2-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63219284
3-[(4,4-diethylazepane-1-carbonyl)amino]propanoic acid
CID 122018412
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
CID 79804327

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 63219024) is 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid is CC1(C)CCCN1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is LNNORUQCANLMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2)6-4-8-13(11)10(16)12-7-3-5-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid?
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63219024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).