4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid

C13H23NO4 — CID 83229622

IUPAC4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NOC1CCCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-3-13(4-2,12(16)17)9-11(15)14-18-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDTVTYJBKNCYUGH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.26
Rot. Bonds7

About 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid

4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 83229622) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid
PubChem CID83229622
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NOC1CCCC1)C(=O)O
InChIInChI=1S/C13H23NO4/c1-3-13(4-2,12(16)17)9-11(15)14-18-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDTVTYJBKNCYUGH-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.26
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 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid (CID 83229622) is 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)NOC1CCCC1)C(=O)O.
What is the InChIKey of 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is DTVTYJBKNCYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-13(4-2,12(16)17)9-11(15)14-18-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid?
4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 257.33 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 83229622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).