2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C15H28N2O3 — CID 114390830

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NC(CN(C)C)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-9(2)13(8-17(4)5)16-14(18)11-6-10(3)7-12(11)15(19)20/h9-13H,6-8H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyJCJNHBNZOTWXBH-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.44
Rot. Bonds6

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390830) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390830
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NC(CN(C)C)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-9(2)13(8-17(4)5)16-14(18)11-6-10(3)7-12(11)15(19)20/h9-13H,6-8H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyJCJNHBNZOTWXBH-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-3-((S)-1-Dimethylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-heptanoic acid
CID 44345896
Trans-2-(Hydroxycarbamoylmethyl-methyl-carbamoyl)-cyclopentanecarboxylic acid
CID 19906617
3-[[1-(Dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]heptanoic acid
CID 49823394
2-(Cyclopentylcarbamoyl)cyclohexanecarboxylic acid
CID 2933637
2-[[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79810819
2-[Methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978390
cis-(1R,2S)-4-methyl-2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105632686
cis-(1R,2S)-4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635798
cis-(1S,2R)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 105635823
cis-(1R,2S)-4-methyl-2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105638192
cis-(1R,2S)-2-(2,2-difluoroethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 105640456
cis-(1R,2S)-2-(2,2-difluoroethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 105640461

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390830) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NC(CN(C)C)C(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is JCJNHBNZOTWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(2)13(8-17(4)5)16-14(18)11-6-10(3)7-12(11)15(19)20/h9-13H,6-8H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).