1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 63832820

IUPAC1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCOC1CCCC1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c18-13(19)15(8-4-1-5-9-15)17-14(20)16-10-11-21-12-6-2-3-7-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyZEGWNFDPUJOXQG-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 63832820) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID63832820
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCOC1CCCC1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c18-13(19)15(8-4-1-5-9-15)17-14(20)16-10-11-21-12-6-2-3-7-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyZEGWNFDPUJOXQG-UHFFFAOYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.03
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-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide
CID 63827760
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 63832820) is 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCOC1CCCC1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZEGWNFDPUJOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13(19)15(8-4-1-5-9-15)17-14(20)16-10-11-21-12-6-2-3-7-12/h12H,1-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63832820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).