2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H24N2O4 — CID 114391307

IUPAC2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-16(5-2)12(17)8-15-13(18)10-6-9(3)7-11(10)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyVDKAMHQOARVHLC-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.72
Rot. Bonds6

About 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391307) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391307
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-4-16(5-2)12(17)8-15-13(18)10-6-9(3)7-11(10)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyVDKAMHQOARVHLC-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648
cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092786
(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 114085030
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099275
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099268
cis-(1R,3S)-3-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320008
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114391307) is 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCN(CC)C(=O)CNC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is VDKAMHQOARVHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-16(5-2)12(17)8-15-13(18)10-6-9(3)7-11(10)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).