3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 103550244

IUPAC3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-4-16(5-2)13(18)9(3)15-12(17)10-6-7-11(8-10)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyFUENJCPYGUHBLO-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds6

About 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550244) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550244
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-4-16(5-2)13(18)9(3)15-12(17)10-6-7-11(8-10)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyFUENJCPYGUHBLO-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868358
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 103113502
3-[(4,4-dimethyl-3-oxopentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 176949294
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 103109051
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103550244) is 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is CCN(CC)C(=O)C(C)NC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FUENJCPYGUHBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-16(5-2)13(18)9(3)15-12(17)10-6-7-11(8-10)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).