1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C13H22N2O3 — CID 113311419

IUPAC1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCCN1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H22N2O3/c1-12(2)5-4-8-15(12)11(18)14-9-13(10(16)17)6-3-7-13/h3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVDZMUEFVQZEORF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds3

About 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311419) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311419
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCCN1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C13H22N2O3/c1-12(2)5-4-8-15(12)11(18)14-9-13(10(16)17)6-3-7-13/h3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVDZMUEFVQZEORF-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446802
(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839891
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311291
1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311332
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446496
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113335992

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 113311419) is 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is CC1(C)CCCN1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is VDZMUEFVQZEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2)5-4-8-15(12)11(18)14-9-13(10(16)17)6-3-7-13/h3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).