CID 132607463

C15H22NO3 — CID 132607463

IUPAC—
SMILESCC(C)C(c1ccccc1)N([O])C(C)(C)CC(=O)O
InChIInChI=1S/C15H22NO3/c1-11(2)14(12-8-6-5-7-9-12)16(19)15(3,4)10-13(17)18/h5-9,11,14H,10H2,1-4H3,(H,17,18)
InChIKeyBOYBBTGCGLEWNI-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.28
Rot. Bonds6

About CID 132607463

CID 132607463 (PubChem CID 132607463) has the molecular formula C15H22NO3 and a molecular weight of 264.34 g/mol.

Molecular Properties

Compound NameCID 132607463
PubChem CID132607463
Molecular FormulaC15H22NO3
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name—
SMILESCC(C)C(c1ccccc1)N([O])C(C)(C)CC(=O)O
InChIInChI=1S/C15H22NO3/c1-11(2)14(12-8-6-5-7-9-12)16(19)15(3,4)10-13(17)18/h5-9,11,14H,10H2,1-4H3,(H,17,18)
InChIKeyBOYBBTGCGLEWNI-UHFFFAOYSA-N
XLogP3.28
TPSA60.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 100998329
CID 100998329
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CID 65058523
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4-methyl-3-phenylpentanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 132607463?
The IUPAC name of CID 132607463 (CID 132607463) is not available.
What is the SMILES notation for CID 132607463?
The canonical SMILES for CID 132607463 is CC(C)C(c1ccccc1)N([O])C(C)(C)CC(=O)O.
What is the InChIKey of CID 132607463?
The InChIKey is BOYBBTGCGLEWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO3/c1-11(2)14(12-8-6-5-7-9-12)16(19)15(3,4)10-13(17)18/h5-9,11,14H,10H2,1-4H3,(H,17,18).
What are the key properties of CID 132607463?
CID 132607463 has a molecular weight of 264.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132607463 is sourced from PubChem (CID 132607463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).