2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C15H28N2O3 — CID 102991709

IUPAC2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(CCCN(C)C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-17(8-6-7-16(3)4)14(18)12-9-11(2)10-13(12)15(19)20/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyUWEMQLFLUICKBZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.53
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 102991709) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID102991709
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(CCCN(C)C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-17(8-6-7-16(3)4)14(18)12-9-11(2)10-13(12)15(19)20/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeyUWEMQLFLUICKBZ-UHFFFAOYSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclopentanecarboxylic acid
CID 44375345
2-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978054
2-[Butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978375
2-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978376
2-[2-Methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978384
2-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978385
2-[Pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978392
2-[Methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978888
cis-(1S,2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105633786
cis-(1R,2S)-4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105633787
cis-(1R,2S)-4-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 105633874
cis-(1S,2R)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635722

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 102991709) is 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCN(CCCN(C)C)C(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is UWEMQLFLUICKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-17(8-6-7-16(3)4)14(18)12-9-11(2)10-13(12)15(19)20/h11-13H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 102991709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).