2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C15H27N3O3 — CID 105419635

IUPAC2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCN(C)C1(CNC(=O)NC2CCCC2(C)C(=O)O)CCC1
InChIInChI=1S/C15H27N3O3/c1-14(12(19)20)7-4-6-11(14)17-13(21)16-10-15(18(2)3)8-5-9-15/h11H,4-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyXCLUMGVJHVPNHE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds5

About 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 105419635) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID105419635
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCN(C)C1(CNC(=O)NC2CCCC2(C)C(=O)O)CCC1
InChIInChI=1S/C15H27N3O3/c1-14(12(19)20)7-4-6-11(14)17-13(21)16-10-15(18(2)3)8-5-9-15/h11H,4-10H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyXCLUMGVJHVPNHE-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 105419635) is 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CN(C)C1(CNC(=O)NC2CCCC2(C)C(=O)O)CCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is XCLUMGVJHVPNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(12(19)20)7-4-6-11(14)17-13(21)16-10-15(18(2)3)8-5-9-15/h11H,4-10H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 105419635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).