1-aminopropyl benzoate;copper

C10H13CuNO2 — CID 70588917

IUPAC1-aminopropyl benzoate;copper
SMILESCCC(N)OC(=O)c1ccccc1.[Cu]
InChIInChI=1S/C10H13NO2.Cu/c1-2-9(11)13-10(12)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;
InChIKeyJZRVXDGBDDACOG-UHFFFAOYSA-N
MW242.77 g/mol
LogP1.54
Rot. Bonds3

About 1-aminopropyl benzoate;copper

1-aminopropyl benzoate;copper (PubChem CID 70588917) has the molecular formula C10H13CuNO2 and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-aminopropyl benzoate;copper.

Molecular Properties

Compound Name1-aminopropyl benzoate;copper
PubChem CID70588917
Molecular FormulaC10H13CuNO2
Molecular Weight242.77 g/mol
Exact Mass242.02
IUPAC Name1-aminopropyl benzoate;copper
SMILESCCC(N)OC(=O)c1ccccc1.[Cu]
InChIInChI=1S/C10H13NO2.Cu/c1-2-9(11)13-10(12)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;
InChIKeyJZRVXDGBDDACOG-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminopropyl 2-methylbenzoate
CID 174943529
2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
CID 146533433
1,2-dihydroxybutyl benzoate
CID 140652937
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
[(3S,4S)-4-hydroxyhexan-3-yl] benzoate
CID 101228669
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
1-hydroxypentan-3-yl benzoate
CID 66896563
(5-benzoyloxy-4-propan-2-ylheptan-3-yl) benzoate
CID 126566908
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2S)-pentan-2-yl] benzoate
CID 101019298
1-hydroxybutyl benzoate
CID 23042733
[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate
CID 175115899

Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl benzoate;copper?
The IUPAC name of 1-aminopropyl benzoate;copper (CID 70588917) is 1-aminopropyl benzoate;copper.
What is the SMILES notation for 1-aminopropyl benzoate;copper?
The canonical SMILES for 1-aminopropyl benzoate;copper is CCC(N)OC(=O)c1ccccc1.[Cu].
What is the InChIKey of 1-aminopropyl benzoate;copper?
The InChIKey is JZRVXDGBDDACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.Cu/c1-2-9(11)13-10(12)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;.
What are the key properties of 1-aminopropyl benzoate;copper?
1-aminopropyl benzoate;copper has a molecular weight of 242.77 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl benzoate;copper is sourced from PubChem (CID 70588917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).