2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 103978319

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2,3)15-11(17)8-16(4)12(18)9-6-5-7-10(9)13(19)20/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyJLXVBGRWAGAUCG-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds4

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978319) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978319
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2,3)15-11(17)8-16(4)12(18)9-6-5-7-10(9)13(19)20/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyJLXVBGRWAGAUCG-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 10037452
6-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60953991
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978420
N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 55230347
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
CID 66240457
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978319) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid is CN(CC(=O)NC(C)(C)C)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JLXVBGRWAGAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)15-11(17)8-16(4)12(18)9-6-5-7-10(9)13(19)20/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).