1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C13H24N2O4 — CID 115433979

IUPAC1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCOCCCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O4/c1-2-19-9-5-8-14-12(18)15-10-13(11(16)17)6-3-4-7-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyYRJNMUCLECPOGU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds8

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

1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433979) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID115433979
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCOCCCNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O4/c1-2-19-9-5-8-14-12(18)15-10-13(11(16)17)6-3-4-7-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyYRJNMUCLECPOGU-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.36
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-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[(2-butoxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312514
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309790
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382
1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 115433979) is 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is CCOCCCNC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YRJNMUCLECPOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-19-9-5-8-14-12(18)15-10-13(11(16)17)6-3-4-7-13/h2-10H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).