2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid

C14H26N2O4 — CID 65226423

IUPAC2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCOC1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-5-11(13(17)18)10-16-14(19)15-8-9-20-12-6-3-4-7-12/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUFDIXQWENRLSCG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.75
Rot. Bonds9

About 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid

2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65226423) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65226423
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCOC1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-5-11(13(17)18)10-16-14(19)15-8-9-20-12-6-3-4-7-12/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUFDIXQWENRLSCG-UHFFFAOYSA-N
XLogP1.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.75
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

4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid (CID 65226423) is 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCCOC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is UFDIXQWENRLSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-5-11(13(17)18)10-16-14(19)15-8-9-20-12-6-3-4-7-12/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid?
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65226423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).