1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H27N3O3 — CID 115433944

IUPAC1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H27N3O3/c1-3-17(4-2)10-9-15-13(20)16-11-14(12(18)19)7-5-6-8-14/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyGBHXDXOWYDRSLN-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds8

About 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433944) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433944
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H27N3O3/c1-3-17(4-2)10-9-15-13(20)16-11-14(12(18)19)7-5-6-8-14/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyGBHXDXOWYDRSLN-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-[(2-pyrrolidin-1-ylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436892
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-(aminomethyl)-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 55037810
1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309790
1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106038890
1-[(dimethylaminocarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 83018157
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433944) is 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is CCN(CC)CCNC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GBHXDXOWYDRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-17(4-2)10-9-15-13(20)16-11-14(12(18)19)7-5-6-8-14/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).