5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid

C12H21NO4 — CID 83228798

IUPAC5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NOC1CCCC1
InChIInChI=1S/C12H21NO4/c1-12(2,8-11(15)16)7-10(14)13-17-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXWUHFDXCGIGPIZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.87
Rot. Bonds6

About 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid

5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 83228798) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID83228798
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NOC1CCCC1
InChIInChI=1S/C12H21NO4/c1-12(2,8-11(15)16)7-10(14)13-17-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXWUHFDXCGIGPIZ-UHFFFAOYSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid (CID 83228798) is 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NOC1CCCC1.
What is the InChIKey of 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is XWUHFDXCGIGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,8-11(15)16)7-10(14)13-17-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 83228798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).