1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C15H29N3O3 — CID 115433956

IUPAC1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CCCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H29N3O3/c1-3-18(4-2)11-7-10-16-14(21)17-12-15(13(19)20)8-5-6-9-15/h3-12H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyIOILYLOIHKKOJQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.66
Rot. Bonds9

About 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433956) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433956
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC)CCCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C15H29N3O3/c1-3-18(4-2)11-7-10-16-14(21)17-12-15(13(19)20)8-5-6-9-15/h3-12H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyIOILYLOIHKKOJQ-UHFFFAOYSA-N
XLogP1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106038890
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309790
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433956) is 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is CCN(CC)CCCNC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is IOILYLOIHKKOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-18(4-2)11-7-10-16-14(21)17-12-15(13(19)20)8-5-6-9-15/h3-12H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).