1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C14H25NO4 — CID 82720670

IUPAC1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC(C)(C)ONC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-15-11(16)10-14(12(17)18)8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUQAHJCCZPGWDNY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 82720670) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID82720670
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC(C)(C)ONC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-15-11(16)10-14(12(17)18)8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUQAHJCCZPGWDNY-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
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 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 82720670) is 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid is CC(C)(C)ONC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is UQAHJCCZPGWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-15-11(16)10-14(12(17)18)8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82720670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).