[4-(cyclopentylamino)-4-oxobutanoyl]oxidanium

C9H16NO3+ — CID 163819970

IUPAC[4-(cyclopentylamino)-4-oxobutanoyl]oxidanium
SMILESO=C([OH2+])CCC(=O)NC1CCCC1
InChIInChI=1S/C9H15NO3/c11-8(5-6-9(12)13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)/p+1
InChIKeyNUNSFUWCFOMRJP-UHFFFAOYSA-O
MW186.23 g/mol
LogP0.08
Rot. Bonds4

About [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium

[4-(cyclopentylamino)-4-oxobutanoyl]oxidanium (PubChem CID 163819970) has the molecular formula C9H16NO3+ and a molecular weight of 186.23 g/mol. Its IUPAC name is [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium.

Molecular Properties

Compound Name[4-(cyclopentylamino)-4-oxobutanoyl]oxidanium
PubChem CID163819970
Molecular FormulaC9H16NO3+
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name[4-(cyclopentylamino)-4-oxobutanoyl]oxidanium
SMILESO=C([OH2+])CCC(=O)NC1CCCC1
InChIInChI=1S/C9H15NO3/c11-8(5-6-9(12)13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)/p+1
InChIKeyNUNSFUWCFOMRJP-UHFFFAOYSA-O
XLogP0.08
TPSA69.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium?
The IUPAC name of [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium (CID 163819970) is [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium.
What is the SMILES notation for [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium?
The canonical SMILES for [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium is O=C([OH2+])CCC(=O)NC1CCCC1.
What is the InChIKey of [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium?
The InChIKey is NUNSFUWCFOMRJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15NO3/c11-8(5-6-9(12)13)10-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)/p+1.
What are the key properties of [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium?
[4-(cyclopentylamino)-4-oxobutanoyl]oxidanium has a molecular weight of 186.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylamino)-4-oxobutanoyl]oxidanium is sourced from PubChem (CID 163819970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).