3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C13H22N2O3 — CID 146143135

IUPAC3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1(CNC(=O)C2(C)CC(C(=O)O)C2)CCCN1
InChIInChI=1S/C13H22N2O3/c1-12(6-9(7-12)10(16)17)11(18)14-8-13(2)4-3-5-15-13/h9,15H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRHIDFGPIOSUBPJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds4

About 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 146143135) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID146143135
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1(CNC(=O)C2(C)CC(C(=O)O)C2)CCCN1
InChIInChI=1S/C13H22N2O3/c1-12(6-9(7-12)10(16)17)11(18)14-8-13(2)4-3-5-15-13/h9,15H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRHIDFGPIOSUBPJ-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
CID 130542642
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
1-(3-methylbutan-2-yl)-3-[(2-methylpyrrolidin-2-yl)methyl]urea
CID 165463454
N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
CID 114761896
2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 114761846
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114761731
N-[(2-methylpyrrolidin-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 114761752
[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526034
N-[(2-methylpyrrolidin-2-yl)methyl]furan-3-carboxamide
CID 114761851
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 114761889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 146143135) is 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is CC1(CNC(=O)C2(C)CC(C(=O)O)C2)CCCN1.
What is the InChIKey of 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is RHIDFGPIOSUBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(6-9(7-12)10(16)17)11(18)14-8-13(2)4-3-5-15-13/h9,15H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylpyrrolidin-2-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 146143135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).