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

C15H28N2O3 — CID 114390540

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

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

2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390540) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390540
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(C(C)C)N(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-9(2)13(17(4)5)8-16-14(18)11-6-10(3)7-12(11)15(19)20/h9-13H,6-8H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyJWNCTNNXXBWPJY-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

cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54867612
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830
2-amino-N-[2-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxamide
CID 64822467
4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093430
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602
4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390973
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
2-[(2-methoxy-3-methylbutyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976511

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390540) is 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCC(C(C)C)N(C)C)C1.
What is the InChIKey of 2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is JWNCTNNXXBWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(2)13(17(4)5)8-16-14(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-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[[2-(dimethylamino)-3-methylbutyl]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-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).