8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid

C14H18ClNO3 — CID 69254577

IUPAC8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid
SMILESNC(=O)C(CCCCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c15-11-8-6-10(7-9-11)12(14(16)19)4-2-1-3-5-13(17)18/h6-9,12H,1-5H2,(H2,16,19)(H,17,18)
InChIKeyNVWBFMVEDUDBTM-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.94
Rot. Bonds8

About 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid

8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid (PubChem CID 69254577) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid
PubChem CID69254577
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid
SMILESNC(=O)C(CCCCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c15-11-8-6-10(7-9-11)12(14(16)19)4-2-1-3-5-13(17)18/h6-9,12H,1-5H2,(H2,16,19)(H,17,18)
InChIKeyNVWBFMVEDUDBTM-UHFFFAOYSA-N
XLogP2.94
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid?
The IUPAC name of 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid (CID 69254577) is 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid?
The canonical SMILES for 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid is NC(=O)C(CCCCCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid?
The InChIKey is NVWBFMVEDUDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-11-8-6-10(7-9-11)12(14(16)19)4-2-1-3-5-13(17)18/h6-9,12H,1-5H2,(H2,16,19)(H,17,18).
What are the key properties of 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid?
8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(4-chlorophenyl)-8-oxooctanoic acid is sourced from PubChem (CID 69254577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).