2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid

C13H24N2O5 — CID 63833349

IUPAC2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCCOC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-19-8-6-11(12(16)17)15-13(18)14-7-9-20-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIDPGTYCPDBFLIK-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.73
Rot. Bonds9

About 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid

2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid (PubChem CID 63833349) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
PubChem CID63833349
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCCOC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-19-8-6-11(12(16)17)15-13(18)14-7-9-20-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIDPGTYCPDBFLIK-UHFFFAOYSA-N
XLogP0.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
CID 81081378
(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 62474156
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
4-methoxy-2-(thiolan-2-ylmethylcarbamoylamino)butanoic acid
CID 80586596
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid (CID 63833349) is 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid is COCCC(NC(=O)NCCOC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid?
The InChIKey is IDPGTYCPDBFLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-19-8-6-11(12(16)17)15-13(18)14-7-9-20-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid?
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 63833349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).